N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(4-isopropylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)acetamide CAS Name: N-[2-phenyl-2-(1-pyrrolidinyl)ethyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[(4-p-cumenyl-1,2,4-triazol-3-yl)thio]-N-(2-phenyl-2-pyrrolidino-ethyl)acetamide Formula: C25H31N5OS MolecularWeight: 449.61154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5OS/c1-19(2)20-10-12-22(13-11-20)30-18-27-28-25(30)32-17-24(31)26-16-23(29-14-6-7-15-29)21-8-4-3-5-9-21/h3-5,8-13,18-19,23H,6-7,14-17H2,1-2H3,(H,26,31)