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

Systemtic Name: (2S)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethylphenyl)propanamide Openeye Name: (2S)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethylphenyl)propanamide CAS Name: (2S)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-ethylphenyl)propanamide IUPAC Name: (2S)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethylphenyl)propanamide Traditional Name: (2S)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-ethylphenyl)propionamide Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=CN2C3CC3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NN=CN2C3CC3

InChI

InChI=1S/C16H20N4OS/c1-3-12-4-6-13(7-5-12)18-15(21)11(2)22-16-19-17-10-20(16)14-8-9-14/h4-7,10-11,14H,3,8-9H2,1-2H3,(H,18,21)/t11-/m0/s1