2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-diethylphenyl)propanamide

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-diethylphenyl)propanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-diethylphenyl)propanamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2,6-diethylphenyl)propanamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-diethylphenyl)propanamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2,6-diethylphenyl)propionamide Formula: C21H31N5OS MolecularWeight: 401.56874

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C(C)SC2=NN=C(N2N)C3CCCCC3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C(C)SC2=NN=C(N2N)C3CCCCC3

InChI

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