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

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

Isomeric SMILES

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

InChI

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