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

Systemtic Name: 3-[2-[[3-ethoxycarbonyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-[[3-ethoxycarbonyl-5-methyl-4-(p-tolyl)-2-thienyl]amino]-2-oxo-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-[[3-ethoxycarbonyl-5-methyl-4-(4-methylphenyl)-2-thiophenyl]amino]-2-oxoethyl]thio]-6-methyl-1,2,4-triazin-5-olate IUPAC Name: 3-[2-[[3-ethoxycarbonyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]amino]-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-[[3-carbethoxy-5-methyl-4-(p-tolyl)-2-thienyl]amino]-2-keto-ethyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C21H21N4O4S2- MolecularWeight: 457.54584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4S2/c1-5-29-20(28)17-16(14-8-6-11(2)7-9-14)13(4)31-19(17)22-15(26)10-30-21-23-18(27)12(3)24-25-21/h6-9H,5,10H2,1-4H3,(H,22,26)(H,23,25,27)/p-1