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

Systemtic Name: 4-[[1-(2,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[1-(2,4-dimethylphenyl)-5-tetrazolyl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[[1-(2,4-dimethylphenyl)tetrazol-5-yl]thio]methyl]-7-methyl-coumarin Formula: C20H18N4O2S MolecularWeight: 378.44752

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O2S/c1-12-5-7-17(14(3)8-12)24-20(21-22-23-24)27-11-15-10-19(25)26-18-9-13(2)4-6-16(15)18/h4-10H,11H2,1-3H3