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

Systemtic Name: N-(4-nitrophenyl)-2-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: N-(4-nitrophenyl)-2-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)acetamide Formula: C17H15N5O3S MolecularWeight: 369.3977

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O3S/c23-16(18-13-6-8-14(9-7-13)22(24)25)11-26-17-19-15(20-21-17)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,23)(H,19,20,21)