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

Systemtic Name: 3,3-dimethyl-1-[[4-[(4-methylphenyl)methyl]-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 3,3-dimethyl-1-[[4-(p-tolylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 3,3-dimethyl-1-[[4-[(4-methylphenyl)methyl]-5-(2-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[[4-[(4-methylphenyl)methyl]-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 3,3-dimethyl-1-[[4-(4-methylbenzyl)-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C20H28N4OS MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)C(C)(C)C)C3CCCN3

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)C(C)(C)C)C3CCCN3

InChI

InChI=1S/C20H28N4OS/c1-14-7-9-15(10-8-14)12-24-18(16-6-5-11-21-16)22-23-19(24)26-13-17(25)20(2,3)4/h7-10,16,21H,5-6,11-13H2,1-4H3