7-bromanyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)chromen-2-one

Systemtic Name: 7-bromanyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)chromen-2-one Openeye Name: 7-bromo-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)chromen-2-one CAS Name: 7-bromo-4-[(1H-1,2,4-triazol-5-ylthio)methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)chromen-2-one Traditional Name: 7-bromo-4-[(1H-1,2,4-triazol-5-ylthio)methyl]coumarin Formula: C12H8BrN3O2S MolecularWeight: 338.17982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)OC(=O)C=C2CSC3=NC=NN3

Isomeric SMILES

C1=CC2=C(C=C1Br)OC(=O)C=C2CSC3=NC=NN3

InChI

InChI=1S/C12H8BrN3O2S/c13-8-1-2-9-7(3-11(17)18-10(9)4-8)5-19-12-14-6-15-16-12/h1-4,6H,5H2,(H,14,15,16)