3-[(4-phenyl-5-phenylazanyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(4-phenyl-5-phenylazanyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 3-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C22H17N5S MolecularWeight: 383.46888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)NC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H17N5S/c23-15-17-8-7-9-18(14-17)16-28-22-26-25-21(24-19-10-3-1-4-11-19)27(22)20-12-5-2-6-13-20/h1-14H,16H2,(H,24,25)