4-[[1-(2-methoxy-5-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-methyl-chromen-2-one

Systemtic Name: 4-[[1-(2-methoxy-5-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[1-(2-methoxy-5-methylphenyl)-5-tetrazolyl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]thio]methyl]-7-methyl-coumarin Formula: C20H18N4O3S MolecularWeight: 394.44692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC3=CC(=O)OC4=C3C=CC(=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC3=CC(=O)OC4=C3C=CC(=C4)C

InChI

InChI=1S/C20H18N4O3S/c1-12-5-7-17(26-3)16(8-12)24-20(21-22-23-24)28-11-14-10-19(25)27-18-9-13(2)4-6-15(14)18/h4-10H,11H2,1-3H3