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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O3S/c1-11-2-6-13(7-3-11)21-16(19-20-17(21)26-10-15(18)23)12-4-8-14(9-5-12)22(24)25/h2-9H,10H2,1H3,(H2,18,23)