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

Systemtic Name: 5,6-dimethoxy-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-2,3-dihydroinden-1-one Openeye Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-5,6-dimethoxy-indan-1-one CAS Name: 5,6-dimethoxy-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-2,3-dihydroinden-1-one IUPAC Name: 2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5,6-dimethoxy-2,3-dihydroinden-1-one Traditional Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-5,6-dimethoxy-indan-1-one Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(C2=O)SC3=NN=C(N3CC4=CC=CC=C4)C5=CC=NC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(C2=O)SC3=NN=C(N3CC4=CC=CC=C4)C5=CC=NC=C5)OC

InChI

InChI=1S/C25H22N4O3S/c1-31-20-12-18-13-22(23(30)19(18)14-21(20)32-2)33-25-28-27-24(17-8-10-26-11-9-17)29(25)15-16-6-4-3-5-7-16/h3-12,14,22H,13,15H2,1-2H3