2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5,6-dimethoxy-2,3-dihydroinden-1-one

Systemtic Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5,6-dimethoxy-2,3-dihydroinden-1-one Openeye Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5,6-dimethoxy-indan-1-one CAS Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]-5,6-dimethoxy-2,3-dihydroinden-1-one IUPAC Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5,6-dimethoxy-2,3-dihydroinden-1-one Traditional Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]-5,6-dimethoxy-indan-1-one Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(C2=O)SC3=NN=C(N3C4CCCCC4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(C2=O)SC3=NN=C(N3C4CCCCC4)C5=CC=CC=C5)OC

InChI

InChI=1S/C25H27N3O3S/c1-30-20-13-17-14-22(23(29)19(17)15-21(20)31-2)32-25-27-26-24(16-9-5-3-6-10-16)28(25)18-11-7-4-8-12-18/h3,5-6,9-10,13,15,18,22H,4,7-8,11-12,14H2,1-2H3