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

Systemtic Name: 4-[(Z)-[4-(dimethylaminomethyl)-5-methyl-pyrrol-2-ylidene]methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(Z)-[4-(dimethylaminomethyl)-5-methyl-pyrrol-2-ylidene]methyl]-5-(2-thienyl)-1,2-dihydropyrazol-3-one CAS Name: 4-[(Z)-[4-(dimethylaminomethyl)-5-methyl-2-pyrrolylidene]methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(Z)-[4-(dimethylaminomethyl)-5-methylpyrrol-2-ylidene]methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(Z)-[4-(dimethylaminomethyl)-5-methyl-pyrrol-2-ylidene]methyl]-5-(2-thienyl)-3-pyrazolin-3-one Formula: C16H18N4OS MolecularWeight: 314.40532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC2=C(NNC2=O)C3=CC=CS3)C=C1CN(C)C

Isomeric SMILES

CC1=N/C(=C\C2=C(NNC2=O)C3=CC=CS3)/C=C1CN(C)C

InChI

InChI=1S/C16H18N4OS/c1-10-11(9-20(2)3)7-12(17-10)8-13-15(18-19-16(13)21)14-5-4-6-22-14/h4-8H,9H2,1-3H3,(H2,18,19,21)/b12-8-