4-(4-dimethylaminophenyl)-5-oxidanylidene-2-propylsulfanyl-4-pyridin-3-yl-1H-pyrrole-3-carbonitrile

Systemtic Name: 4-(4-dimethylaminophenyl)-5-oxidanylidene-2-propylsulfanyl-4-pyridin-3-yl-1H-pyrrole-3-carbonitrile Openeye Name: 4-(4-dimethylaminophenyl)-5-oxo-2-propylsulfanyl-4-(3-pyridyl)-1H-pyrrole-3-carbonitrile CAS Name: 4-(4-dimethylaminophenyl)-5-oxo-2-(propylthio)-4-(3-pyridinyl)-1H-pyrrole-3-carbonitrile IUPAC Name: 4-(4-dimethylaminophenyl)-5-oxo-2-propylsulfanyl-4-pyridin-3-yl-1H-pyrrole-3-carbonitrile Traditional Name: 4-(4-dimethylaminophenyl)-5-keto-2-(propylthio)-4-(3-pyridyl)-2-pyrroline-3-carbonitrile Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C(C(=O)N1)(C2=CC=C(C=C2)N(C)C)C3=CN=CC=C3)C#N

Isomeric SMILES

CCCSC1=C(C(C(=O)N1)(C2=CC=C(C=C2)N(C)C)C3=CN=CC=C3)C#N

InChI

InChI=1S/C21H22N4OS/c1-4-12-27-19-18(13-22)21(20(26)24-19,16-6-5-11-23-14-16)15-7-9-17(10-8-15)25(2)3/h5-11,14H,4,12H2,1-3H3,(H,24,26)