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

Systemtic Name: 4-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[1-(3,4-dimethylphenyl)-5-tetrazolyl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[[1-(3,4-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=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=NN3C4=CC(=C(C=C4)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=NN3C4=CC(=C(C=C4)C)C

InChI

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