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

Systemtic Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-pentan-3-yl-ethanamide Openeye Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-ethylpropyl)acetamide CAS Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-pentan-3-ylacetamide IUPAC Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-pentan-3-ylacetamide Traditional Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-(1-ethylpropyl)acetamide Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CSC1=NN(C(=N1)C2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CCC(CC)NC(=O)CSC1=NN(C(=N1)C2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H30N4OS/c1-3-17(4-2)22-19(26)15-27-21-23-20(16-11-7-5-8-12-16)25(24-21)18-13-9-6-10-14-18/h6,9-10,13-14,16-17H,3-5,7-8,11-12,15H2,1-2H3,(H,22,26)