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

Systemtic Name: (2S)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-propanamide Openeye Name: (2S)-2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-propanamide CAS Name: (2S)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-ethylpropanamide IUPAC Name: (2S)-2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpropanamide Traditional Name: (2S)-2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-ethyl-propionamide Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)SC1=NN=C(N1CC2=CC=CC=C2)C3CC3

Isomeric SMILES

CCNC(=O)[C@H](C)SC1=NN=C(N1CC2=CC=CC=C2)C3CC3

InChI

InChI=1S/C17H22N4OS/c1-3-18-16(22)12(2)23-17-20-19-15(14-9-10-14)21(17)11-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,18,22)/t12-/m0/s1