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

Systemtic Name: 7-bromanyl-4-[[1-(3-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-bromo-4-[[1-(m-tolyl)tetrazol-5-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-bromo-4-[[[1-(3-methylphenyl)-5-tetrazolyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-bromo-4-[[[1-(m-tolyl)tetrazol-5-yl]thio]methyl]coumarin Formula: C18H13BrN4O2S MolecularWeight: 429.29042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrN4O2S/c1-11-3-2-4-14(7-11)23-18(20-21-22-23)26-10-12-8-17(24)25-16-9-13(19)5-6-15(12)16/h2-9H,10H2,1H3