N-cyclopentyl-2-[[4-phenyl-5-(phenylazanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-cyclopentyl-2-[[4-phenyl-5-(phenylazanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(anilinomethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-acetamide CAS Name: 2-[[5-(anilinomethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-cyclopentylacetamide IUPAC Name: 2-[[5-(anilinomethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide Traditional Name: 2-[[5-(anilinomethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-cyclopentyl-acetamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC4=CC=CC=C4

InChI

InChI=1S/C22H25N5OS/c28-21(24-18-11-7-8-12-18)16-29-22-26-25-20(15-23-17-9-3-1-4-10-17)27(22)19-13-5-2-6-14-19/h1-6,9-10,13-14,18,23H,7-8,11-12,15-16H2,(H,24,28)