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

Systemtic Name: 2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-[[4-(4-isopropylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]thio]-N-[2-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[(4-p-cumenyl-1,2,4-triazol-3-yl)thio]-N-(2-pyrrolidinophenyl)acetamide Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3=CC=CC=C3N4CCCC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3=CC=CC=C3N4CCCC4

InChI

InChI=1S/C23H27N5OS/c1-17(2)18-9-11-19(12-10-18)28-16-24-26-23(28)30-15-22(29)25-20-7-3-4-8-21(20)27-13-5-6-14-27/h3-4,7-12,16-17H,5-6,13-15H2,1-2H3,(H,25,29)