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

Systemtic Name: 5,6-dimethoxy-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-2,3-dihydroinden-1-one Openeye Name: 5,6-dimethoxy-2-(1-phenyltetrazol-5-yl)sulfanyl-indan-1-one CAS Name: 5,6-dimethoxy-2-[(1-phenyl-5-tetrazolyl)thio]-2,3-dihydroinden-1-one IUPAC Name: 5,6-dimethoxy-2-(1-phenyltetrazol-5-yl)sulfanyl-2,3-dihydroinden-1-one Traditional Name: 5,6-dimethoxy-2-[(1-phenyltetrazol-5-yl)thio]indan-1-one Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(C2=O)SC3=NN=NN3C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(C2=O)SC3=NN=NN3C4=CC=CC=C4)OC

InChI

InChI=1S/C18H16N4O3S/c1-24-14-8-11-9-16(17(23)13(11)10-15(14)25-2)26-18-19-20-21-22(18)12-6-4-3-5-7-12/h3-8,10,16H,9H2,1-2H3