3-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(7-methoxy-2-oxo-chromen-4-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(7-methoxy-2-oxochromen-4-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-keto-7-methoxy-chromen-4-yl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C16H17N3O4S MolecularWeight: 347.38888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

InChI=1S/C16H17N3O4S/c1-3-6-19-15(21)17-18-16(19)24-9-10-7-14(20)23-13-8-11(22-2)4-5-12(10)13/h4-5,7-8H,3,6,9H2,1-2H3,(H,17,21)