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

Systemtic Name: 2-[4-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[[5-oxo-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[(4-benzyl-5-keto-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]benzonitrile Formula: C23H18N4OS MolecularWeight: 398.48022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)NN=C2SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)NN=C2SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C23H18N4OS/c24-14-20-8-4-5-9-21(20)19-12-10-18(11-13-19)16-29-23-26-25-22(28)27(23)15-17-6-2-1-3-7-17/h1-13H,15-16H2,(H,25,28)