4-[2-[[5-oxidanylidene-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[2-[[5-oxidanylidene-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]benzenecarbonitrile Openeye Name: 4-[2-[[4-(4-benzyloxyphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzonitrile CAS Name: 4-[1-oxo-2-[[5-oxo-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]ethyl]benzonitrile IUPAC Name: 4-[2-[[5-oxo-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzonitrile Traditional Name: 4-[2-[[4-(4-benzoxyphenyl)-5-keto-1H-1,2,4-triazol-3-yl]thio]acetyl]benzonitrile Formula: C24H18N4O3S MolecularWeight: 442.48972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)N3C(=O)NN=C3SCC(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)N3C(=O)NN=C3SCC(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H18N4O3S/c25-14-17-6-8-19(9-7-17)22(29)16-32-24-27-26-23(30)28(24)20-10-12-21(13-11-20)31-15-18-4-2-1-3-5-18/h1-13H,15-16H2,(H,26,30)