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

Systemtic Name: N-(cyclohexylmethyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(cyclohexylmethyl)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(cyclohexylmethyl)-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(cyclohexylmethyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(cyclohexylmethyl)-2-[[4-phenyl-5-(3-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)CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C22H25N5OS/c28-20(24-14-17-8-3-1-4-9-17)16-29-22-26-25-21(18-10-7-13-23-15-18)27(22)19-11-5-2-6-12-19/h2,5-7,10-13,15,17H,1,3-4,8-9,14,16H2,(H,24,28)