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

Systemtic Name: (2S)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethylphenyl)propanamide Openeye Name: (2S)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethylphenyl)propanamide CAS Name: (2S)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-ethylphenyl)propanamide IUPAC Name: (2S)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethylphenyl)propanamide Traditional Name: (2S)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-ethylphenyl)propionamide Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4OS/c1-3-16-9-13-18(14-10-16)23-21(27)15(2)28-22-24-20(17-11-12-17)26(25-22)19-7-5-4-6-8-19/h4-10,13-15,17H,3,11-12H2,1-2H3,(H,23,27)/t15-/m0/s1