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

Systemtic Name: 2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Openeye Name: 2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexanone CAS Name: 2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-cyclohexanone IUPAC Name: 2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Traditional Name: 2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]cyclohexanone Formula: C21H21N3O2S MolecularWeight: 379.47534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SC4CCCCC4=O

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SC4CCCCC4=O

InChI

InChI=1S/C21H21N3O2S/c1-26-18-13-7-5-11-16(18)20-22-23-21(24(20)15-9-3-2-4-10-15)27-19-14-8-6-12-17(19)25/h2-5,7,9-11,13,19H,6,8,12,14H2,1H3