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

Systemtic Name: 7-bromanyl-4-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-bromo-4-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-bromo-4-[[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-bromo-4-[[[5-methyl-4-(p-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=C(C=C1)N2C(=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)Br)C

InChI

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