7-bromanyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 7-bromanyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-bromo-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-bromo-4-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-bromo-4-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]coumarin Formula: C13H10BrN3O2S MolecularWeight: 352.2064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC2=CC(=O)OC3=C2C=CC(=C3)Br

Isomeric SMILES

CC1=NC(=NN1)SCC2=CC(=O)OC3=C2C=CC(=C3)Br

InChI

InChI=1S/C13H10BrN3O2S/c1-7-15-13(17-16-7)20-6-8-4-12(18)19-11-5-9(14)2-3-10(8)11/h2-5H,6H2,1H3,(H,15,16,17)