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

Systemtic Name: 3-[2-[(2-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(2-butoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-[2-[butoxy(oxo)methyl]anilino]-2-oxoethyl]thio]-6-phenyl-1,2,4-triazin-5-olate IUPAC Name: 3-[2-(2-butoxycarbonylanilino)-2-oxoethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(2-butoxycarbonylanilino)-2-keto-ethyl]thio]-6-phenyl-1,2,4-triazin-5-olate Formula: C22H21N4O4S- MolecularWeight: 437.49154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C22H22N4O4S/c1-2-3-13-30-21(29)16-11-7-8-12-17(16)23-18(27)14-31-22-24-20(28)19(25-26-22)15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3,(H,23,27)(H,24,26,28)/p-1