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

Systemtic Name: (2S)-2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethylphenyl)propanamide Openeye Name: (2S)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethylphenyl)propanamide CAS Name: (2S)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-ethylphenyl)propanamide IUPAC Name: (2S)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethylphenyl)propanamide Traditional Name: (2S)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-ethylphenyl)propionamide Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2N)C3CC3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NN=C(N2N)C3CC3

InChI

InChI=1S/C16H21N5OS/c1-3-11-4-8-13(9-5-11)18-15(22)10(2)23-16-20-19-14(21(16)17)12-6-7-12/h4-5,8-10,12H,3,6-7,17H2,1-2H3,(H,18,22)/t10-/m0/s1