1-[2-oxidanylidene-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[2-oxidanylidene-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[2-oxo-2-[2-(2-thienyl)pyrrolidin-1-yl]ethyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[2-oxo-2-(2-thiophen-2-yl-1-pyrrolidinyl)ethyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[2-keto-2-[2-(2-thienyl)pyrrolidino]ethyl]-1,2,4-triazole-3-carbonitrile Formula: C13H13N5OS MolecularWeight: 287.34022

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CN2C=NC(=N2)C#N)C3=CC=CS3

Isomeric SMILES

C1CC(N(C1)C(=O)CN2C=NC(=N2)C#N)C3=CC=CS3

InChI

InChI=1S/C13H13N5OS/c14-7-12-15-9-17(16-12)8-13(19)18-5-1-3-10(18)11-4-2-6-20-11/h2,4,6,9-10H,1,3,5,8H2