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

Systemtic Name: (2S)-N-cyclohexyl-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-propanamide Openeye Name: (2S)-N-cyclohexyl-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-propanamide CAS Name: (2S)-N-cyclohexyl-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-ethylpropanamide IUPAC Name: (2S)-N-cyclohexyl-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpropanamide Traditional Name: (2S)-N-cyclohexyl-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-ethyl-propionamide Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)C(=O)C(C)SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

CCN(C1CCCCC1)C(=O)[C@H](C)SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H30N4OS/c1-3-25(18-10-6-4-7-11-18)21(27)16(2)28-22-23-20(17-14-15-17)26(24-22)19-12-8-5-9-13-19/h5,8-9,12-13,16-18H,3-4,6-7,10-11,14-15H2,1-2H3/t16-/m0/s1