(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: (5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone Openeye Name: (5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone CAS Name: [5-amino-3-(methylthio)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: (5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [5-amino-3-(methylthio)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone Formula: C13H16N4O4S MolecularWeight: 324.35554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2C(=NC(=N2)SC)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2C(=NC(=N2)SC)N

InChI

InChI=1S/C13H16N4O4S/c1-19-8-5-7(6-9(20-2)10(8)21-3)11(18)17-12(14)15-13(16-17)22-4/h5-6H,1-4H3,(H2,14,15,16)