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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)Br)C5=CC=CO5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)Br)C5=CC=CO5

InChI

InChI=1S/C23H16BrN3O3S/c24-17-8-9-18-16(11-21(28)30-20(18)12-17)14-31-23-26-25-22(19-7-4-10-29-19)27(23)13-15-5-2-1-3-6-15/h1-12H,13-14H2