2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-1-pyrrolidin-1-yl-propan-1-one CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-1-pyrrolidino-propan-1-one Formula: C17H23N5OS MolecularWeight: 345.46242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)N2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)N1CCCC1)N2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C17H23N5OS/c1-13(15(23)21-10-5-6-11-21)22-16(18)19-20-17(22)24-12-9-14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H2,18,19)