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

Systemtic Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-5,6-dimethoxy-2,3-dihydroinden-1-one Openeye Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-5,6-dimethoxy-indan-1-one CAS Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-5,6-dimethoxy-2,3-dihydroinden-1-one IUPAC Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-5,6-dimethoxy-2,3-dihydroinden-1-one Traditional Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-5,6-dimethoxy-indan-1-one Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(C2=O)SC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(C2=O)SC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5)OC

InChI

InChI=1S/C25H21N3O3S/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/h3-13,15,22H,14H2,1-2H3