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

Systemtic Name: 4-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-coumarin Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O4S/c1-17-9-11-21-19(15-25(31)34-23(21)13-17)16-35-27-29-28-26(30(27)20-7-5-4-6-8-20)18-10-12-22(32-2)24(14-18)33-3/h9-15,20H,4-8,16H2,1-3H3