2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-phenylmethoxypropyl)ethanamide

Systemtic Name: 2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-phenylmethoxypropyl)ethanamide Openeye Name: N-(3-benzyloxypropyl)-2-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-(3-phenylmethoxypropyl)acetamide IUPAC Name: 2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-phenylmethoxypropyl)acetamide Traditional Name: N-(3-benzoxypropyl)-2-[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H31N5O2S MolecularWeight: 465.61094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCCCOCC3=CC=CC=C3)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCCCOCC3=CC=CC=C3)N4CCCC4

InChI

InChI=1S/C25H31N5O2S/c1-20-10-12-22(13-11-20)30-24(29-15-5-6-16-29)27-28-25(30)33-19-23(31)26-14-7-17-32-18-21-8-3-2-4-9-21/h2-4,8-13H,5-7,14-19H2,1H3,(H,26,31)