dimethyl (Z)-2-[(5-carbamothioyl-3-methyl-1,2,3-triazol-4-yl)sulfanyl]but-2-enedioate

Systemtic Name: dimethyl (Z)-2-[(5-carbamothioyl-3-methyl-1,2,3-triazol-4-yl)sulfanyl]but-2-enedioate Openeye Name: dimethyl (Z)-2-(5-carbamothioyl-3-methyl-triazol-4-yl)sulfanylbut-2-enedioate CAS Name: (Z)-2-[(5-carbamothioyl-3-methyl-4-triazolyl)thio]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (Z)-2-(5-carbamothioyl-3-methyltriazol-4-yl)sulfanylbut-2-enedioate Traditional Name: (Z)-2-[(3-methyl-5-thiocarbamoyl-triazol-4-yl)thio]but-2-enedioic acid dimethyl ester Formula: C10H12N4O4S2 MolecularWeight: 316.35668

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(N=N1)C(=S)N)SC(=CC(=O)OC)C(=O)OC

Isomeric SMILES

CN1C(=C(N=N1)C(=S)N)S/C(=C\C(=O)OC)/C(=O)OC

InChI

InChI=1S/C10H12N4O4S2/c1-14-9(7(8(11)19)12-13-14)20-5(10(16)18-3)4-6(15)17-2/h4H,1-3H3,(H2,11,19)/b5-4-