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

Systemtic Name: 5-[[4-(phenylcarbamoyl)phenyl]methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazol-3-olate Openeye Name: 4-benzyl-5-[[4-(phenylcarbamoyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-olate CAS Name: 5-[[4-[anilino(oxo)methyl]phenyl]methylthio]-4-(phenylmethyl)-1,2,4-triazol-3-olate IUPAC Name: 4-benzyl-5-[[4-(phenylcarbamoyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-olate Traditional Name: 4-benzyl-5-[[4-(phenylcarbamoyl)benzyl]thio]-1,2,4-triazol-3-olate Formula: C23H19N4O2S- MolecularWeight: 415.48756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4)[O-]

InChI

InChI=1S/C23H20N4O2S/c28-21(24-20-9-5-2-6-10-20)19-13-11-18(12-14-19)16-30-23-26-25-22(29)27(23)15-17-7-3-1-4-8-17/h1-14H,15-16H2,(H,24,28)(H,25,29)/p-1