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

Systemtic Name: 1-(4-chlorophenyl)-2-[[4-(2-methoxy-5-methyl-phenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-chlorophenyl)-2-[[4-(2-methoxy-5-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-chlorophenyl)-2-[[4-(2-methoxy-5-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-chlorophenyl)-2-[[4-(2-methoxy-5-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-chlorophenyl)-2-[[4-(2-methoxy-5-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C22H18ClN3O2S2 MolecularWeight: 455.98022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Cl)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C22H18ClN3O2S2/c1-14-5-10-19(28-2)17(12-14)26-21(20-4-3-11-29-20)24-25-22(26)30-13-18(27)15-6-8-16(23)9-7-15/h3-12H,13H2,1-2H3