2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-pyrrolidino-propan-1-one Formula: C9H15N5OS MolecularWeight: 241.3133

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)SC2=NNC(=N2)N

Isomeric SMILES

CC(C(=O)N1CCCC1)SC2=NNC(=N2)N

InChI

InChI=1S/C9H15N5OS/c1-6(7(15)14-4-2-3-5-14)16-9-11-8(10)12-13-9/h6H,2-5H2,1H3,(H3,10,11,12,13)