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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

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