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

Systemtic Name: 2-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 2-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-pyrrolidino-propan-1-one Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCCC1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4OS/c1-17(21(27)25-14-8-9-15-25)28-22-24-23-20(19-12-6-3-7-13-19)26(22)16-18-10-4-2-5-11-18/h2-7,10-13,17H,8-9,14-16H2,1H3