1-[[1-(3-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzo[f]chromen-3-one

Systemtic Name: 1-[[1-(3-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[[1-(m-tolyl)tetrazol-5-yl]sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[[1-(3-methylphenyl)-5-tetrazolyl]thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[[1-(m-tolyl)tetrazol-5-yl]thio]methyl]benzo[f]chromen-3-one Formula: C22H16N4O2S MolecularWeight: 400.45304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=N2)SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=N2)SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C22H16N4O2S/c1-14-5-4-7-17(11-14)26-22(23-24-25-26)29-13-16-12-20(27)28-19-10-9-15-6-2-3-8-18(15)21(16)19/h2-12H,13H2,1H3