2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[[4-cyclohexyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-benzyl-2-[[4-cyclohexyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)NCC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)NCC3=CC=CC=C3)C4=CC=NC=C4

InChI

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