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

Systemtic Name: (3R)-5-oxidanylidene-1-(4-propylphenyl)-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)pyrrolidine-3-carboximidate Openeye Name: (3R)-5-oxo-1-(4-propylphenyl)-N-(5-thioxo-1H-1,2,4-triazol-4-yl)pyrrolidine-3-carboximidate CAS Name: (3R)-5-oxo-1-(4-propylphenyl)-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)-3-pyrrolidinecarboximidate IUPAC Name: (3R)-5-oxo-1-(4-propylphenyl)-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)pyrrolidine-3-carboximidate Traditional Name: (3R)-5-keto-1-(4-propylphenyl)-N-(5-thioxo-1H-1,2,4-triazol-4-yl)pyrrolidine-3-carboximidate Formula: C16H18N5O2S- MolecularWeight: 344.41142

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)N2CC(CC2=O)C(=NN3C=NNC3=S)[O-]

Isomeric SMILES

CCCC1=CC=C(C=C1)N2C[C@@H](CC2=O)C(=NN3C=NNC3=S)[O-]

InChI

InChI=1S/C16H19N5O2S/c1-2-3-11-4-6-13(7-5-11)20-9-12(8-14(20)22)15(23)19-21-10-17-18-16(21)24/h4-7,10,12H,2-3,8-9H2,1H3,(H,18,24)(H,19,23)/p-1/t12-/m1/s1