N-(diphenylmethyl)-2-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(diphenylmethyl)-2-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-benzhydryl-2-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(diphenylmethyl)-2-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-benzhydryl-2-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-benzhydryl-2-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H19N5O3S MolecularWeight: 445.49366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CSC3=NNC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CSC3=NNC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19N5O3S/c29-20(24-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17)15-32-23-25-22(26-27-23)18-11-13-19(14-12-18)28(30)31/h1-14,21H,15H2,(H,24,29)(H,25,26,27)