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

Systemtic Name: 7-bromanyl-4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-bromo-4-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-bromo-4-[[[5-(2-furanyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-bromo-4-[[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C17H12BrN3O3S MolecularWeight: 418.26448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)Br)C4=CC=CO4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)Br)C4=CC=CO4

InChI

InChI=1S/C17H12BrN3O3S/c1-21-16(13-3-2-6-23-13)19-20-17(21)25-9-10-7-15(22)24-14-8-11(18)4-5-12(10)14/h2-8H,9H2,1H3