5-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazol-3-olate

Systemtic Name: 5-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazol-3-olate Openeye Name: 4-benzyl-5-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-olate CAS Name: 5-[[4-(2-cyanophenyl)phenyl]methylthio]-4-(phenylmethyl)-1,2,4-triazol-3-olate IUPAC Name: 4-benzyl-5-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-olate Traditional Name: 4-benzyl-5-[[4-(2-cyanophenyl)benzyl]thio]-1,2,4-triazol-3-olate Formula: C23H17N4OS- MolecularWeight: 397.47228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)/p-1