2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-pyrrolidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-[3-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(3-pyrrolidinophenyl)acetamide Formula: C26H31N5OS MolecularWeight: 461.62224

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC=CC(=C3)N4CCCC4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC=CC(=C3)N4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C26H31N5OS/c32-24(27-21-12-9-15-23(18-21)30-16-7-8-17-30)19-33-26-29-28-25(20-10-3-1-4-11-20)31(26)22-13-5-2-6-14-22/h1,3-4,9-12,15,18,22H,2,5-8,13-14,16-17,19H2,(H,27,32)