4-(4-ethyl-2-methyl-3-phenethyl-1H-pyrazol-5-ylidene)cyclohexa-2,5-dien-1-one; 4-(4-ethyl-2-methyl-3-thiophen-2-yl-1H-pyrazol-5-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(4-ethyl-2-methyl-3-phenethyl-1H-pyrazol-5-ylidene)cyclohexa-2,5-dien-1-one; 4-(4-ethyl-2-methyl-3-thiophen-2-yl-1H-pyrazol-5-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 4-(4-ethyl-2-methyl-3-phenethyl-1H-pyrazol-5-ylidene)cyclohexa-2,5-dien-1-one; 4-[4-ethyl-2-methyl-3-(2-thienyl)-1H-pyrazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-(4-ethyl-2-methyl-3-phenethyl-1H-pyrazol-5-ylidene)-1-cyclohexa-2,5-dienone; 4-(4-ethyl-2-methyl-3-thiophen-2-yl-1H-pyrazol-5-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 4-(4-ethyl-2-methyl-3-phenethyl-1H-pyrazol-5-ylidene)cyclohexa-2,5-dien-1-one; 4-(4-ethyl-2-methyl-3-thiophen-2-yl-1H-pyrazol-5-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 4-(4-ethyl-1-methyl-5-phenethyl-3-pyrazolin-3-ylidene)cyclohexa-2,5-dien-1-one; 4-[4-ethyl-1-methyl-5-(2-thienyl)-3-pyrazolin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C36H38N4O2S MolecularWeight: 590.77752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(NC1=C2C=CC(=O)C=C2)C)CCC3=CC=CC=C3.CCC1=C(N(NC1=C2C=CC(=O)C=C2)C)C3=CC=CS3

Isomeric SMILES

CCC1=C(N(NC1=C2C=CC(=O)C=C2)C)CCC3=CC=CC=C3.CCC1=C(N(NC1=C2C=CC(=O)C=C2)C)C3=CC=CS3

InChI

InChI=1S/C20H22N2O.C16H16N2OS/c1-3-18-19(14-9-15-7-5-4-6-8-15)22(2)21-20(18)16-10-12-17(23)13-11-16;1-3-13-15(11-6-8-12(19)9-7-11)17-18(2)16(13)14-5-4-10-20-14/h4-8,10-13,21H,3,9,14H2,1-2H3;4-10,17H,3H2,1-2H3