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

Systemtic Name: 2-[[5-cyclohexyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-cyclohexyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-cyclohexyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-cyclohexyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-cyclohexyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C23H25N3O2S/c1-28-20-14-12-19(13-15-20)26-22(18-10-6-3-7-11-18)24-25-23(26)29-16-21(27)17-8-4-2-5-9-17/h2,4-5,8-9,12-15,18H,3,6-7,10-11,16H2,1H3