3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoyl]chromen-2-one

Systemtic Name: 3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoyl]chromen-2-one Openeye Name: 3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]chromen-2-one CAS Name: 3-[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]-1-benzopyran-2-one IUPAC Name: 3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]chromen-2-one Traditional Name: 3-[2-(1H-1,2,4-triazol-5-ylthio)acetyl]coumarin Formula: C13H9N3O3S MolecularWeight: 287.29386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)CSC3=NC=NN3

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)CSC3=NC=NN3

InChI

InChI=1S/C13H9N3O3S/c17-10(6-20-13-14-7-15-16-13)9-5-8-3-1-2-4-11(8)19-12(9)18/h1-5,7H,6H2,(H,14,15,16)