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

Systemtic Name: 3-[2-[(3-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(3-butoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-[3-[butoxy(oxo)methyl]anilino]-2-oxoethyl]thio]-1,2,4-triazin-5-olate IUPAC Name: 3-[2-(3-butoxycarbonylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(3-butoxycarbonylanilino)-2-keto-ethyl]thio]-1,2,4-triazin-5-olate Formula: C16H17N4O4S- MolecularWeight: 361.39558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O4S/c1-2-3-7-24-15(23)11-5-4-6-12(8-11)18-14(22)10-25-16-19-13(21)9-17-20-16/h4-6,8-9H,2-3,7,10H2,1H3,(H,18,22)(H,19,20,21)/p-1