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

Systemtic Name: (3S)-1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)pyrrolidine-3-carboximidate Openeye Name: (3S)-1-(1,3-benzodioxol-5-yl)-5-oxo-N-(5-thioxo-1H-1,2,4-triazol-4-yl)pyrrolidine-3-carboximidate CAS Name: (3S)-1-(1,3-benzodioxol-5-yl)-5-oxo-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)-3-pyrrolidinecarboximidate IUPAC Name: (3S)-1-(1,3-benzodioxol-5-yl)-5-oxo-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)pyrrolidine-3-carboximidate Traditional Name: (3S)-1-(1,3-benzodioxol-5-yl)-5-keto-N-(5-thioxo-1H-1,2,4-triazol-4-yl)pyrrolidine-3-carboximidate Formula: C14H12N5O4S- MolecularWeight: 346.34118

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC3=C(C=C2)OCO3)C(=NN4C=NNC4=S)[O-]

Isomeric SMILES

C1[C@@H](CN(C1=O)C2=CC3=C(C=C2)OCO3)C(=NN4C=NNC4=S)[O-]

InChI

InChI=1S/C14H13N5O4S/c20-12-3-8(13(21)17-19-6-15-16-14(19)24)5-18(12)9-1-2-10-11(4-9)23-7-22-10/h1-2,4,6,8H,3,5,7H2,(H,16,24)(H,17,21)/p-1/t8-/m0/s1