1-(4-chloranyl-3-nitro-phenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-chloro-3-nitro-phenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(4-chloro-3-nitrophenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-chloro-3-nitrophenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-chloro-3-nitro-phenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C17H13ClN4O3S MolecularWeight: 388.82812

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3

InChI

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