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

Systemtic Name: 7-bromanyl-4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-bromo-4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-bromo-4-[[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-bromo-4-[[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C19H14BrN3O3S MolecularWeight: 444.30176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=O)OC4=C3C=CC(=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=O)OC4=C3C=CC(=C4)Br

InChI

InChI=1S/C19H14BrN3O3S/c1-25-14-5-2-11(3-6-14)18-21-19(23-22-18)27-10-12-8-17(24)26-16-9-13(20)4-7-15(12)16/h2-9H,10H2,1H3,(H,21,22,23)