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

Systemtic Name: 4-[[1-(2,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[[1-(2,4-dimethylphenyl)-5-tetrazolyl]thio]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-7-hydroxychromen-2-one Traditional Name: 4-[[[1-(2,4-dimethylphenyl)tetrazol-5-yl]thio]methyl]-7-hydroxy-coumarin Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O3S/c1-11-3-6-16(12(2)7-11)23-19(20-21-22-23)27-10-13-8-18(25)26-17-9-14(24)4-5-15(13)17/h3-9,24H,10H2,1-2H3