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

Systemtic Name: 7-bromanyl-4-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-bromo-4-[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-bromo-4-[[[5-(2-methyl-3-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-bromo-4-[[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C23H16BrN3O3S MolecularWeight: 494.36044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=O)OC5=C4C=CC(=C5)Br

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=O)OC5=C4C=CC(=C5)Br

InChI

InChI=1S/C23H16BrN3O3S/c1-14-18(9-10-29-14)22-25-26-23(27(22)17-5-3-2-4-6-17)31-13-15-11-21(28)30-20-12-16(24)7-8-19(15)20/h2-12H,13H2,1H3