4-[[4-cyclohexyl-5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one

Systemtic Name: 4-[[4-cyclohexyl-5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[4-cyclohexyl-5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[4-cyclohexyl-5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-cyclohexyl-5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[(4-cyclohexyl-5-veratryl-1,2,4-triazol-3-yl)thio]methyl]-7-methyl-coumarin Formula: C28H31N3O4S MolecularWeight: 505.62844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4CCCCC4)CC5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4CCCCC4)CC5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C28H31N3O4S/c1-18-9-11-22-20(16-27(32)35-24(22)13-18)17-36-28-30-29-26(31(28)21-7-5-4-6-8-21)15-19-10-12-23(33-2)25(14-19)34-3/h9-14,16,21H,4-8,15,17H2,1-3H3