(2S,3R)-1-(4-methylphenyl)-5-oxidanylidene-2-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate

Systemtic Name: (2S,3R)-1-(4-methylphenyl)-5-oxidanylidene-2-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate Openeye Name: (2S,3R)-5-oxo-1-(p-tolyl)-2-(2-thienyl)-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate CAS Name: (2S,3R)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)-3-pyrrolidinecarboximidate IUPAC Name: (2S,3R)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate Traditional Name: (2S,3R)-5-keto-1-(p-tolyl)-2-(2-thienyl)-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate Formula: C18H16N5O2S- MolecularWeight: 366.41694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CC2=O)C(=NC3=NC=NN3)[O-])C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)N2[C@@H]([C@@H](CC2=O)C(=NC3=NC=NN3)[O-])C4=CC=CS4

InChI

InChI=1S/C18H17N5O2S/c1-11-4-6-12(7-5-11)23-15(24)9-13(16(23)14-3-2-8-26-14)17(25)21-18-19-10-20-22-18/h2-8,10,13,16H,9H2,1H3,(H2,19,20,21,22,25)/p-1/t13-,16+/m1/s1