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

Systemtic Name: 2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-5,6-dimethoxy-2,3-dihydroinden-1-one Openeye Name: 2-[[4-allyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-5,6-dimethoxy-indan-1-one CAS Name: 2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-5,6-dimethoxy-2,3-dihydroinden-1-one IUPAC Name: 2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-5,6-dimethoxy-2,3-dihydroinden-1-one Traditional Name: 2-[[4-allyl-5-(4-bromophenyl)-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(N3CC=C)C4=CC=C(C=C4)Br)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(C2=O)SC3=NN=C(N3CC=C)C4=CC=C(C=C4)Br)OC

InChI

InChI=1S/C22H20BrN3O3S/c1-4-9-26-21(13-5-7-15(23)8-6-13)24-25-22(26)30-19-11-14-10-17(28-2)18(29-3)12-16(14)20(19)27/h4-8,10,12,19H,1,9,11H2,2-3H3