2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)propanamide

Systemtic Name: 2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)propanamide Openeye Name: N-(2-isopropylphenyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2-propan-2-ylphenyl)propanamide IUPAC Name: 2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)propanamide Traditional Name: N-o-cumenyl-2-[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C25H31N5OS MolecularWeight: 449.61154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)CN4CCCC4

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)CN4CCCC4

InChI

InChI=1S/C25H31N5OS/c1-18(2)21-13-7-8-14-22(21)26-24(31)19(3)32-25-28-27-23(17-29-15-9-10-16-29)30(25)20-11-5-4-6-12-20/h4-8,11-14,18-19H,9-10,15-17H2,1-3H3,(H,26,31)