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

Systemtic Name: 5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-2-phenyl-pentanenitrile Openeye Name: 5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-2-phenyl-pentanenitrile CAS Name: 5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-3-oxo-2-phenylpentanenitrile IUPAC Name: 5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-2-phenylpentanenitrile Traditional Name: 3-keto-5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-2-phenyl-valeronitrile Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)C(C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)C(C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H18N4OS/c1-15-22-23-20(24(15)17-10-6-3-7-11-17)26-13-12-19(25)18(14-21)16-8-4-2-5-9-16/h2-11,18H,12-13H2,1H3