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

Systemtic Name: (3R)-1-(4-methylsulfanylphenyl)-5-oxidanylidene-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate Openeye Name: (3R)-1-(4-methylsulfanylphenyl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate CAS Name: (3R)-1-[4-(methylthio)phenyl]-5-oxo-N-(1H-1,2,4-triazol-5-yl)-3-pyrrolidinecarboximidate IUPAC Name: (3R)-1-(4-methylsulfanylphenyl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate Traditional Name: (3R)-5-keto-1-[4-(methylthio)phenyl]-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate Formula: C14H14N5O2S- MolecularWeight: 316.35826

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)N2CC(CC2=O)C(=NC3=NC=NN3)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)N2C[C@@H](CC2=O)C(=NC3=NC=NN3)[O-]

InChI

InChI=1S/C14H15N5O2S/c1-22-11-4-2-10(3-5-11)19-7-9(6-12(19)20)13(21)17-14-15-8-16-18-14/h2-5,8-9H,6-7H2,1H3,(H2,15,16,17,18,21)/p-1/t9-/m1/s1