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

Systemtic Name: 1-(3-chloranyl-4-methoxy-phenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(3-chloro-4-methoxy-phenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(3-chloro-4-methoxyphenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(3-chloro-4-methoxyphenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(3-chloro-4-methoxy-phenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C18H22ClN3O2S MolecularWeight: 379.90418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC(=O)C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC(=O)C3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C18H22ClN3O2S/c1-12-20-21-18(22(12)14-6-4-3-5-7-14)25-11-16(23)13-8-9-17(24-2)15(19)10-13/h8-10,14H,3-7,11H2,1-2H3