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

Systemtic Name: 7-bromanyl-4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-bromo-4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-bromo-4-[[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-bromo-4-[[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C18H11BrClN3O2S MolecularWeight: 448.72084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=NN2)SCC3=CC(=O)OC4=C3C=CC(=C4)Br)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=NN2)SCC3=CC(=O)OC4=C3C=CC(=C4)Br)Cl

InChI

InChI=1S/C18H11BrClN3O2S/c19-12-3-6-14-11(7-16(24)25-15(14)8-12)9-26-18-21-17(22-23-18)10-1-4-13(20)5-2-10/h1-8H,9H2,(H,21,22,23)