N-[(2S)-pentan-2-yl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(2S)-pentan-2-yl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-methylbutyl]acetamide CAS Name: N-[(2S)-pentan-2-yl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(2S)-pentan-2-yl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[(1S)-1-methylbutyl]acetamide Formula: C17H23N5OS MolecularWeight: 345.46242

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NN=C(N1CC=C)C2=CC=NC=C2

Isomeric SMILES

CCC[C@H](C)NC(=O)CSC1=NN=C(N1CC=C)C2=CC=NC=C2

InChI

InChI=1S/C17H23N5OS/c1-4-6-13(3)19-15(23)12-24-17-21-20-16(22(17)11-5-2)14-7-9-18-10-8-14/h5,7-10,13H,2,4,6,11-12H2,1,3H3,(H,19,23)/t13-/m0/s1