4-(4-chlorophenyl)-2-phenyl-2-[(3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]butanenitrile

Systemtic Name: 4-(4-chlorophenyl)-2-phenyl-2-[(3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]butanenitrile Openeye Name: 4-(4-chlorophenyl)-2-phenyl-2-[(3-thioxo-1H-1,2,4-triazol-2-yl)methyl]butanenitrile CAS Name: 4-(4-chlorophenyl)-2-phenyl-2-[(3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]butanenitrile IUPAC Name: 4-(4-chlorophenyl)-2-phenyl-2-[(3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]butanenitrile Traditional Name: 4-(4-chlorophenyl)-2-phenyl-2-[(3-thioxo-1H-1,2,4-triazol-2-yl)methyl]butyronitrile Formula: C19H17ClN4S MolecularWeight: 368.88308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCC2=CC=C(C=C2)Cl)(CN3C(=S)N=CN3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(CCC2=CC=C(C=C2)Cl)(CN3C(=S)N=CN3)C#N

InChI

InChI=1S/C19H17ClN4S/c20-17-8-6-15(7-9-17)10-11-19(12-21,16-4-2-1-3-5-16)13-24-18(25)22-14-23-24/h1-9,14H,10-11,13H2,(H,22,23,25)