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

Systemtic Name: 4-[[1-(2-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[[1-(2-methoxyphenyl)-5-tetrazolyl]thio]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[[1-(2-methoxyphenyl)tetrazol-5-yl]thio]methyl]-6,7-dimethyl-coumarin Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=NN3C4=CC=CC=C4OC)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=NN3C4=CC=CC=C4OC)C

InChI

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