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

Systemtic Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethylphenyl)-2-phenyl-ethanamide Openeye Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethylphenyl)-2-phenyl-acetamide CAS Name: 2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-(3,5-dimethylphenyl)-2-phenylacetamide IUPAC Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethylphenyl)-2-phenylacetamide Traditional Name: 2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]-N-(3,5-dimethylphenyl)-2-phenyl-acetamide Formula: C25H29N5OS MolecularWeight: 447.59566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3C4CC4)N5CCCC5)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3C4CC4)N5CCCC5)C

InChI

InChI=1S/C25H29N5OS/c1-17-14-18(2)16-20(15-17)26-23(31)22(19-8-4-3-5-9-19)32-25-28-27-24(29-12-6-7-13-29)30(25)21-10-11-21/h3-5,8-9,14-16,21-22H,6-7,10-13H2,1-2H3,(H,26,31)