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

Systemtic Name: 7-bromanyl-4-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 4-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-bromo-chromen-2-one CAS Name: 7-bromo-4-[[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-bromochromen-2-one Traditional Name: 4-[[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-7-bromo-coumarin Formula: C20H16BrN3O2S MolecularWeight: 442.32894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC3=CC(=O)OC4=C3C=CC(=C4)Br

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC3=CC(=O)OC4=C3C=CC(=C4)Br

InChI

InChI=1S/C20H16BrN3O2S/c1-13-22-23-20(24(13)11-14-5-3-2-4-6-14)27-12-15-9-19(25)26-18-10-16(21)7-8-17(15)18/h2-10H,11-12H2,1H3