2-[[4-(4-methoxyphenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Openeye Name: 2-[[4-(4-methoxyphenyl)-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexanone CAS Name: 2-[[4-(4-methoxyphenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-cyclohexanone IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Traditional Name: 2-[[4-(4-methoxyphenyl)-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]cyclohexanone Formula: C22H23N3O2S MolecularWeight: 393.50192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SC4CCCCC4=O

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SC4CCCCC4=O

InChI

InChI=1S/C22H23N3O2S/c1-15-6-5-7-16(14-15)21-23-24-22(28-20-9-4-3-8-19(20)26)25(21)17-10-12-18(27-2)13-11-17/h5-7,10-14,20H,3-4,8-9H2,1-2H3