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

Systemtic Name: dimethyl (Z)-2-[(5-carbamothioyl-3-phenyl-1,2,3-triazol-4-yl)sulfanyl]but-2-enedioate Openeye Name: dimethyl (Z)-2-(5-carbamothioyl-3-phenyl-triazol-4-yl)sulfanylbut-2-enedioate CAS Name: (Z)-2-[(5-carbamothioyl-3-phenyl-4-triazolyl)thio]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (Z)-2-(5-carbamothioyl-3-phenyltriazol-4-yl)sulfanylbut-2-enedioate Traditional Name: (Z)-2-[(3-phenyl-5-thiocarbamoyl-triazol-4-yl)thio]but-2-enedioic acid dimethyl ester Formula: C15H14N4O4S2 MolecularWeight: 378.42606

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C(=O)OC)SC1=C(N=NN1C2=CC=CC=C2)C(=S)N

Isomeric SMILES

COC(=O)/C=C(/C(=O)OC)\SC1=C(N=NN1C2=CC=CC=C2)C(=S)N

InChI

InChI=1S/C15H14N4O4S2/c1-22-11(20)8-10(15(21)23-2)25-14-12(13(16)24)17-18-19(14)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,16,24)/b10-8-