3-[2-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate

Systemtic Name: 3-[2-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-[(3-ethoxycarbonyl-5-phenyl-2-thienyl)amino]-2-oxo-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-[(3-ethoxycarbonyl-5-phenyl-2-thiophenyl)amino]-2-oxoethyl]thio]-6-methyl-1,2,4-triazin-5-olate IUPAC Name: 3-[2-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-[(3-carbethoxy-5-phenyl-2-thienyl)amino]-2-keto-ethyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C19H17N4O4S2- MolecularWeight: 429.49268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CSC3=NC(=C(N=N3)C)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CSC3=NC(=C(N=N3)C)[O-]

InChI

InChI=1S/C19H18N4O4S2/c1-3-27-18(26)13-9-14(12-7-5-4-6-8-12)29-17(13)20-15(24)10-28-19-21-16(25)11(2)22-23-19/h4-9H,3,10H2,1-2H3,(H,20,24)(H,21,23,25)/p-1