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

Systemtic Name: 6-ethyl-4-[[1-(3-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[[1-(m-tolyl)tetrazol-5-yl]sulfanylmethyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[[1-(3-methylphenyl)-5-tetrazolyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[[1-(m-tolyl)tetrazol-5-yl]thio]methyl]coumarin Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=NN3C4=CC=CC(=C4)C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=NN3C4=CC=CC(=C4)C)O

InChI

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