4-[(E)-[4-(dimethylaminomethyl)-3,5-dimethyl-pyrrol-2-ylidene]methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(E)-[4-(dimethylaminomethyl)-3,5-dimethyl-pyrrol-2-ylidene]methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(E)-[4-(dimethylaminomethyl)-3,5-dimethyl-pyrrol-2-ylidene]methyl]-5-(2-thienyl)-1,2-dihydropyrazol-3-one CAS Name: 4-[(E)-[4-(dimethylaminomethyl)-3,5-dimethyl-2-pyrrolylidene]methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(E)-[4-(dimethylaminomethyl)-3,5-dimethylpyrrol-2-ylidene]methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(E)-[4-(dimethylaminomethyl)-3,5-dimethyl-pyrrol-2-ylidene]methyl]-5-(2-thienyl)-3-pyrazolin-3-one Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC1=CC2=C(NNC2=O)C3=CC=CS3)C)CN(C)C

Isomeric SMILES

CC\1=C(C(=N/C1=C/C2=C(NNC2=O)C3=CC=CS3)C)CN(C)C

InChI

InChI=1S/C17H20N4OS/c1-10-13(9-21(3)4)11(2)18-14(10)8-12-16(19-20-17(12)22)15-6-5-7-23-15/h5-8H,9H2,1-4H3,(H2,19,20,22)/b14-8+