1-(4-chlorophenyl)-2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]ethanone

Systemtic Name: 1-(4-chlorophenyl)-2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]ethanone Openeye Name: 1-(4-chlorophenyl)-2-[3-nitro-5-(p-tolylsulfanyl)-1,2,4-triazol-1-yl]ethanone CAS Name: 1-(4-chlorophenyl)-2-[5-[(4-methylphenyl)thio]-3-nitro-1,2,4-triazol-1-yl]ethanone IUPAC Name: 1-(4-chlorophenyl)-2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]ethanone Traditional Name: 1-(4-chlorophenyl)-2-[3-nitro-5-(p-tolylthio)-1,2,4-triazol-1-yl]ethanone Formula: C17H13ClN4O3S MolecularWeight: 388.82812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC(=NN2CC(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC(=NN2CC(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN4O3S/c1-11-2-8-14(9-3-11)26-17-19-16(22(24)25)20-21(17)10-15(23)12-4-6-13(18)7-5-12/h2-9H,10H2,1H3