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

Systemtic Name: 2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenoxyethyl)ethanamide Openeye Name: N-(2-phenoxyethyl)-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-(2-phenoxyethyl)acetamide IUPAC Name: 2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide Traditional Name: N-(2-phenoxyethyl)-2-[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCCOC3=CC=CC=C3)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCCOC3=CC=CC=C3)N4CCCC4

InChI

InChI=1S/C23H27N5O2S/c1-18-9-11-19(12-10-18)28-22(27-14-5-6-15-27)25-26-23(28)31-17-21(29)24-13-16-30-20-7-3-2-4-8-20/h2-4,7-12H,5-6,13-17H2,1H3,(H,24,29)