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

Systemtic Name: (2R)-2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: (2R)-2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-1-pyrrolidin-1-yl-propan-1-one CAS Name: (2R)-2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: (2R)-2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-1-pyrrolidin-1-ylpropan-1-one Traditional Name: (2R)-2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-1-pyrrolidino-propan-1-one Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)N2C(=NN=C2SCC3=CC=CC=C3)N

Isomeric SMILES

C[C@H](C(=O)N1CCCC1)N2C(=NN=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C16H21N5OS/c1-12(14(22)20-9-5-6-10-20)21-15(17)18-19-16(21)23-11-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3,(H2,17,18)/t12-/m1/s1