(3R)-1-(3,4-dimethoxyphenyl)-5-oxidanylidene-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)pyrrolidine-3-carboximidate

Systemtic Name: (3R)-1-(3,4-dimethoxyphenyl)-5-oxidanylidene-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)pyrrolidine-3-carboximidate Openeye Name: (3R)-1-(3,4-dimethoxyphenyl)-5-oxo-N-(5-thioxo-1H-1,2,4-triazol-4-yl)pyrrolidine-3-carboximidate CAS Name: (3R)-1-(3,4-dimethoxyphenyl)-5-oxo-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)-3-pyrrolidinecarboximidate IUPAC Name: (3R)-1-(3,4-dimethoxyphenyl)-5-oxo-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)pyrrolidine-3-carboximidate Traditional Name: (3R)-1-(3,4-dimethoxyphenyl)-5-keto-N-(5-thioxo-1H-1,2,4-triazol-4-yl)pyrrolidine-3-carboximidate Formula: C15H16N5O4S- MolecularWeight: 362.38364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2CC(CC2=O)C(=NN3C=NNC3=S)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C[C@@H](CC2=O)C(=NN3C=NNC3=S)[O-])OC

InChI

InChI=1S/C15H17N5O4S/c1-23-11-4-3-10(6-12(11)24-2)19-7-9(5-13(19)21)14(22)18-20-8-16-17-15(20)25/h3-4,6,8-9H,5,7H2,1-2H3,(H,17,25)(H,18,22)/p-1/t9-/m1/s1