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

Systemtic Name: 3-[2-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-[(3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl]sulfanyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl]thio]-1,2,4-triazin-5-olate IUPAC Name: 3-[2-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-[(3-carbethoxy-4-phenyl-2-thienyl)amino]-2-keto-ethyl]thio]-1,2,4-triazin-5-olate Formula: C18H15N4O4S2- MolecularWeight: 415.4661

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NC(=CN=N3)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NC(=CN=N3)[O-]

InChI

InChI=1S/C18H16N4O4S2/c1-2-26-17(25)15-12(11-6-4-3-5-7-11)9-27-16(15)20-14(24)10-28-18-21-13(23)8-19-22-18/h3-9H,2,10H2,1H3,(H,20,24)(H,21,22,23)/p-1