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

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-chloro-3-nitro-phenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(4-chloro-3-nitrophenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-chloro-3-nitrophenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-chloro-3-nitro-phenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C18H15ClN4O3S MolecularWeight: 402.8547

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H15ClN4O3S/c1-2-22-17(12-6-4-3-5-7-12)20-21-18(22)27-11-16(24)13-8-9-14(19)15(10-13)23(25)26/h3-10H,2,11H2,1H3