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

Systemtic Name: 2-[[4-cyclohexyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone CAS Name: 2-[[4-cyclohexyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)thio]-1-(4-methoxyphenyl)ethanone Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3CCCCC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3CCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2S/c1-29-21-14-12-19(13-15-21)22(28)17-30-24-26-25-23(16-18-8-4-2-5-9-18)27(24)20-10-6-3-7-11-20/h2,4-5,8-9,12-15,20H,3,6-7,10-11,16-17H2,1H3