2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-tert-butylphenyl)ethanamide

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-tert-butylphenyl)ethanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-tert-butylphenyl)acetamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2-tert-butylphenyl)acetamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-tert-butylphenyl)acetamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2-tert-butylphenyl)acetamide Formula: C20H29N5OS MolecularWeight: 387.54216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2N)C3CCCCC3

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2N)C3CCCCC3

InChI

InChI=1S/C20H29N5OS/c1-20(2,3)15-11-7-8-12-16(15)22-17(26)13-27-19-24-23-18(25(19)21)14-9-5-4-6-10-14/h7-8,11-12,14H,4-6,9-10,13,21H2,1-3H3,(H,22,26)