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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SCC3=CC(=O)OC4=C3C=CC(=C4)Br

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCC3=CC(=O)OC4=C3C=CC(=C4)Br

InChI

InChI=1S/C20H16BrN3O2S/c1-12-5-3-4-6-15(12)19-22-23-20(24(19)2)27-11-13-9-18(25)26-17-10-14(21)7-8-16(13)17/h3-10H,11H2,1-2H3