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

Systemtic Name: (2S)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethylphenyl)propanamide Openeye Name: (2S)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethylphenyl)propanamide CAS Name: (2S)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-(4-ethylphenyl)propanamide IUPAC Name: (2S)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethylphenyl)propanamide Traditional Name: (2S)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-(4-ethylphenyl)propionamide Formula: C18H24N4OS MolecularWeight: 344.47436

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2CC)C3CC3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NN=C(N2CC)C3CC3

InChI

InChI=1S/C18H24N4OS/c1-4-13-6-10-15(11-7-13)19-17(23)12(3)24-18-21-20-16(14-8-9-14)22(18)5-2/h6-7,10-12,14H,4-5,8-9H2,1-3H3,(H,19,23)/t12-/m0/s1