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

Systemtic Name: 2-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylcyclohexyl)ethanamide Openeye Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylcyclohexyl)acetamide CAS Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-methylcyclohexyl)acetamide IUPAC Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylcyclohexyl)acetamide Traditional Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-methylcyclohexyl)acetamide Formula: C21H31N5OS MolecularWeight: 401.56874

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1CCCCC1NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H31N5OS/c1-14-7-5-6-8-17(14)23-18(27)13-28-20-25-24-19(26(20)22)15-9-11-16(12-10-15)21(2,3)4/h9-12,14,17H,5-8,13,22H2,1-4H3,(H,23,27)