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

Systemtic Name: 7-bromanyl-4-[[1-(2,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-bromo-4-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-bromo-4-[[[1-(2,4-dimethylphenyl)-5-tetrazolyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-bromo-4-[[[1-(2,4-dimethylphenyl)tetrazol-5-yl]thio]methyl]coumarin Formula: C19H15BrN4O2S MolecularWeight: 443.317

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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)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrN4O2S/c1-11-3-6-16(12(2)7-11)24-19(21-22-23-24)27-10-13-8-18(25)26-17-9-14(20)4-5-15(13)17/h3-9H,10H2,1-2H3