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

Systemtic Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-pyrrolidino-propan-1-one Formula: C15H18N4OS MolecularWeight: 302.39462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)SC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCCC1)SC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C15H18N4OS/c1-11(14(20)19-9-5-6-10-19)21-15-16-13(17-18-15)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,16,17,18)