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

Systemtic Name: N-cyclohexyl-N-phenyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-cyclohexyl-N-phenyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-cyclohexyl-N-phenyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-cyclohexyl-N-phenyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-cyclohexyl-N-phenyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)CSC3=NNC(=N3)C4=CC=NC=C4

Isomeric SMILES

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)CSC3=NNC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C21H23N5OS/c27-19(15-28-21-23-20(24-25-21)16-11-13-22-14-12-16)26(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18H,2,5-6,9-10,15H2,(H,23,24,25)