5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-2-phenyl-pentanenitrile

Systemtic Name: 5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-2-phenyl-pentanenitrile Openeye Name: 5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-2-phenyl-pentanenitrile CAS Name: 5-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-3-oxo-2-phenylpentanenitrile IUPAC Name: 5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-2-phenylpentanenitrile Traditional Name: 5-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-3-keto-2-phenyl-valeronitrile Formula: C25H20N4OS MolecularWeight: 424.5175

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCC(=O)C(C#N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCC(=O)C(C#N)C4=CC=CC=C4

InChI

InChI=1S/C25H20N4OS/c26-18-22(19-10-4-1-5-11-19)23(30)16-17-31-25-28-27-24(20-12-6-2-7-13-20)29(25)21-14-8-3-9-15-21/h1-15,22H,16-17H2