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

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-chloro-3-nitro-phenyl)-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-chloro-3-nitrophenyl)-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-chloro-3-nitrophenyl)-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-chloro-3-nitro-phenyl)-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H15ClN4O4S MolecularWeight: 418.8541

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN4O4S/c1-22-17(12-4-3-5-13(8-12)27-2)20-21-18(22)28-10-16(24)11-6-7-14(19)15(9-11)23(25)26/h3-9H,10H2,1-2H3