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

Systemtic Name: 4-[[3-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenyl]methoxy]benzenecarbonitrile Openeye Name: 4-[[3-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]methoxy]benzonitrile CAS Name: 4-[[3-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenyl]methoxy]benzonitrile IUPAC Name: 4-[[3-(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]methoxy]benzonitrile Traditional Name: 4-[3-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)benzyl]oxybenzonitrile Formula: C23H18N4OS MolecularWeight: 398.48022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NNC2=S)C3=CC(=CC=C3)COC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NNC2=S)C3=CC(=CC=C3)COC4=CC=C(C=C4)C#N

InChI

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