6,7-dimethyl-4-[[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[1-(o-tolyl)tetrazol-5-yl]sulfanylmethyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[[1-(2-methylphenyl)-5-tetrazolyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[[1-(o-tolyl)tetrazol-5-yl]thio]methyl]coumarin Formula: C20H18N4O2S MolecularWeight: 378.44752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=N2)SCC3=CC(=O)OC4=CC(=C(C=C34)C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=N2)SCC3=CC(=O)OC4=CC(=C(C=C34)C)C

InChI

InChI=1S/C20H18N4O2S/c1-12-6-4-5-7-17(12)24-20(21-22-23-24)27-11-15-10-19(25)26-18-9-14(3)13(2)8-16(15)18/h4-10H,11H2,1-3H3