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

Systemtic Name: 2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-propan-2-yloxypropyl)ethanamide Openeye Name: N-(3-isopropoxypropyl)-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-propan-2-yloxypropyl)acetamide IUPAC Name: 2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-propan-2-yloxypropyl)acetamide Traditional Name: N-(3-isopropoxypropyl)-2-[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCCCOC(C)C)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCCCOC(C)C)N3CCCC3

InChI

InChI=1S/C21H31N5O2S/c1-16(2)28-14-6-11-22-19(27)15-29-21-24-23-20(25-12-4-5-13-25)26(21)18-9-7-17(3)8-10-18/h7-10,16H,4-6,11-15H2,1-3H3,(H,22,27)