2-[(4-dimethylaminophenyl)-(4-phenyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]propanedinitrile

Systemtic Name: 2-[(4-dimethylaminophenyl)-(4-phenyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]propanedinitrile Openeye Name: 2-[(4-dimethylaminophenyl)-[4-phenyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]propanedinitrile CAS Name: 2-[(4-dimethylaminophenyl)-[4-phenyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]propanedinitrile IUPAC Name: 2-[(4-dimethylaminophenyl)-(4-phenyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]propanedinitrile Traditional Name: 2-[(4-dimethylaminophenyl)-[4-phenyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]malononitrile Formula: C25H21N7S MolecularWeight: 451.54614

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C(C#N)C#N)N2C(=S)N(C(=N2)C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C(C#N)C#N)N2C(=S)N(C(=N2)C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H21N7S/c1-30(2)21-12-10-18(11-13-21)23(20(15-26)16-27)32-25(33)31(22-8-4-3-5-9-22)24(29-32)19-7-6-14-28-17-19/h3-14,17,20,23H,1-2H3