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

Systemtic Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-1-pyrrolidino-propan-1-one Formula: C12H18N4OS MolecularWeight: 266.36252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)SC2=NNC(=N2)C3CC3

Isomeric SMILES

CC(C(=O)N1CCCC1)SC2=NNC(=N2)C3CC3

InChI

InChI=1S/C12H18N4OS/c1-8(11(17)16-6-2-3-7-16)18-12-13-10(14-15-12)9-4-5-9/h8-9H,2-7H2,1H3,(H,13,14,15)