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

Systemtic Name: 3,3-dimethyl-1-[[4-(phenylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 1-[(4-benzyl-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 3,3-dimethyl-1-[[4-(phenylmethyl)-5-(2-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 1-[(4-benzyl-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[(4-benzyl-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl)thio]-3,3-dimethyl-butan-2-one Formula: C19H26N4OS MolecularWeight: 358.50094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3CCCN3

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3CCCN3

InChI

InChI=1S/C19H26N4OS/c1-19(2,3)16(24)13-25-18-22-21-17(15-10-7-11-20-15)23(18)12-14-8-5-4-6-9-14/h4-6,8-9,15,20H,7,10-13H2,1-3H3