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

Systemtic Name: 3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]-1-pyrrolidino-propan-1-one Formula: C15H19N4OS+ MolecularWeight: 303.40256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCSC2=[N+](NC=N2)C3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C(=O)CCSC2=[N+](NC=N2)C3=CC=CC=C3

InChI

InChI=1S/C15H18N4OS/c20-14(18-9-4-5-10-18)8-11-21-15-16-12-17-19(15)13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2/p+1