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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4S/c1-3-4-8-25-16(24)12-6-5-7-13(9-12)18-14(22)10-26-17-19-15(23)11(2)20-21-17/h5-7,9H,3-4,8,10H2,1-2H3,(H,18,22)(H,19,21,23)/p-1