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

Systemtic Name: 3-[2-[(4-hexoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(4-hexoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-[4-[hexoxy(oxo)methyl]anilino]-2-oxoethyl]thio]-1,2,4-triazin-5-olate IUPAC Name: 3-[2-(4-hexoxycarbonylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(4-hexoxycarbonylanilino)-2-keto-ethyl]thio]-1,2,4-triazin-5-olate Formula: C18H21N4O4S- MolecularWeight: 389.44874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4S/c1-2-3-4-5-10-26-17(25)13-6-8-14(9-7-13)20-16(24)12-27-18-21-15(23)11-19-22-18/h6-9,11H,2-5,10,12H2,1H3,(H,20,24)(H,21,22,23)/p-1