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

Systemtic Name: 3-[2-[(4-hexoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(4-hexoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-[4-[hexoxy(oxo)methyl]anilino]-2-oxoethyl]thio]-6-methyl-1,2,4-triazin-5-olate IUPAC Name: 3-[2-(4-hexoxycarbonylanilino)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(4-hexoxycarbonylanilino)-2-keto-ethyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C19H23N4O4S- MolecularWeight: 403.47532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(N=N2)C)[O-]

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(N=N2)C)[O-]

InChI

InChI=1S/C19H24N4O4S/c1-3-4-5-6-11-27-18(26)14-7-9-15(10-8-14)20-16(24)12-28-19-21-17(25)13(2)22-23-19/h7-10H,3-6,11-12H2,1-2H3,(H,20,24)(H,21,23,25)/p-1