2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[2-(2-thienyl)pyrrolidin-1-yl]ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(2-thiophen-2-yl-1-pyrrolidinyl)ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-[2-(2-thienyl)pyrrolidino]ethanone Formula: C12H15N5OS2 MolecularWeight: 309.4104

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=NNC(=N2)N)C3=CC=CS3

Isomeric SMILES

C1CC(N(C1)C(=O)CSC2=NNC(=N2)N)C3=CC=CS3

InChI

InChI=1S/C12H15N5OS2/c13-11-14-12(16-15-11)20-7-10(18)17-5-1-3-8(17)9-4-2-6-19-9/h2,4,6,8H,1,3,5,7H2,(H3,13,14,15,16)