6-methyl-3-[2-[[4-(2-methylpropoxycarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-olate

Systemtic Name: 6-methyl-3-[2-[[4-(2-methylpropoxycarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(4-isobutoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate CAS Name: 6-methyl-3-[[2-[4-[2-methylpropoxy(oxo)methyl]anilino]-2-oxoethyl]thio]-1,2,4-triazin-5-olate IUPAC Name: 6-methyl-3-[2-[4-(2-methylpropoxycarbonyl)anilino]-2-oxoethyl]sulfanyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(4-isobutoxycarbonylanilino)-2-keto-ethyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C17H19N4O4S- MolecularWeight: 375.42216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC(C)C)[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC(C)C)[O-]

InChI

InChI=1S/C17H20N4O4S/c1-10(2)8-25-16(24)12-4-6-13(7-5-12)18-14(22)9-26-17-19-15(23)11(3)20-21-17/h4-7,10H,8-9H2,1-3H3,(H,18,22)(H,19,21,23)/p-1