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

Systemtic Name: 2-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Openeye Name: 2-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexanone CAS Name: 2-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-cyclohexanone IUPAC Name: 2-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Traditional Name: 2-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]cyclohexanone Formula: C22H23N3O3S MolecularWeight: 409.50132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SC3CCCCC3=O)C4=CC=CC=C4OC

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SC3CCCCC3=O)C4=CC=CC=C4OC

InChI

InChI=1S/C22H23N3O3S/c1-27-16-13-11-15(12-14-16)25-21(17-7-3-5-9-19(17)28-2)23-24-22(25)29-20-10-6-4-8-18(20)26/h3,5,7,9,11-14,20H,4,6,8,10H2,1-2H3