(2S)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-propanamide

Systemtic Name: (2S)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-propanamide Openeye Name: (2S)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-propanamide CAS Name: (2S)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-ethylpropanamide IUPAC Name: (2S)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpropanamide Traditional Name: (2S)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-ethyl-propionamide Formula: C19H26N4OS MolecularWeight: 358.50094

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)SC1=NN(C(=N1)C2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CCNC(=O)[C@H](C)SC1=NN(C(=N1)C2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C19H26N4OS/c1-3-20-18(24)14(2)25-19-21-17(15-10-6-4-7-11-15)23(22-19)16-12-8-5-9-13-16/h5,8-9,12-15H,3-4,6-7,10-11H2,1-2H3,(H,20,24)/t14-/m0/s1