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

Systemtic Name: 2-[[5-(4-bromophenyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-5,6-dimethoxy-2,3-dihydroinden-1-one Openeye Name: 2-[[5-(4-bromophenyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-5,6-dimethoxy-indan-1-one CAS Name: 2-[[5-(4-bromophenyl)-4-cyclopropyl-1,2,4-triazol-3-yl]thio]-5,6-dimethoxy-2,3-dihydroinden-1-one IUPAC Name: 2-[[5-(4-bromophenyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-5,6-dimethoxy-2,3-dihydroinden-1-one Traditional Name: 2-[[5-(4-bromophenyl)-4-cyclopropyl-1,2,4-triazol-3-yl]thio]-5,6-dimethoxy-indan-1-one Formula: C22H20BrN3O3S MolecularWeight: 486.3815

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(C2=O)SC3=NN=C(N3C4CC4)C5=CC=C(C=C5)Br)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(C2=O)SC3=NN=C(N3C4CC4)C5=CC=C(C=C5)Br)OC

InChI

InChI=1S/C22H20BrN3O3S/c1-28-17-9-13-10-19(20(27)16(13)11-18(17)29-2)30-22-25-24-21(26(22)15-7-8-15)12-3-5-14(23)6-4-12/h3-6,9,11,15,19H,7-8,10H2,1-2H3