4-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[1-(4-methoxyphenyl)-5-tetrazolyl]thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[1-(4-methoxyphenyl)tetrazol-5-yl]thio]methyl]-7,8-dimethyl-coumarin Formula: C20H18N4O3S MolecularWeight: 394.44692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=NN3C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=NN3C4=CC=C(C=C4)OC)C

InChI

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