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

Systemtic Name: 5,6-dimethoxy-2-[(1-naphthalen-1-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]-2,3-dihydroinden-1-one Openeye Name: 5,6-dimethoxy-2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-indan-1-one CAS Name: 5,6-dimethoxy-2-[[1-(1-naphthalenyl)-5-tetrazolyl]thio]-2,3-dihydroinden-1-one IUPAC Name: 5,6-dimethoxy-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-2,3-dihydroinden-1-one Traditional Name: 5,6-dimethoxy-2-[[1-(1-naphthyl)tetrazol-5-yl]thio]indan-1-one Formula: C22H18N4O3S MolecularWeight: 418.46832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(C2=O)SC3=NN=NN3C4=CC=CC5=CC=CC=C54)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(C2=O)SC3=NN=NN3C4=CC=CC5=CC=CC=C54)OC

InChI

InChI=1S/C22H18N4O3S/c1-28-18-10-14-11-20(21(27)16(14)12-19(18)29-2)30-22-23-24-25-26(22)17-9-5-7-13-6-3-4-8-15(13)17/h3-10,12,20H,11H2,1-2H3