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

Systemtic Name: (2S)-2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide Openeye Name: (2S)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-isopropylphenyl)propanamide CAS Name: (2S)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-p-cumenyl-propionamide Formula: C17H23N5OS MolecularWeight: 345.46242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)SC2=NN=C(N2N)C3CC3

InChI

InChI=1S/C17H23N5OS/c1-10(2)12-6-8-14(9-7-12)19-16(23)11(3)24-17-21-20-15(22(17)18)13-4-5-13/h6-11,13H,4-5,18H2,1-3H3,(H,19,23)/t11-/m0/s1