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

Systemtic Name: (2S)-2-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-ethyl-propanamide Openeye Name: (2S)-2-[[2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-ethyl-propanamide CAS Name: (2S)-2-[[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-N-ethylpropanamide IUPAC Name: (2S)-2-[[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-ethylpropanamide Traditional Name: (2S)-2-[[2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-N-ethyl-propionamide Formula: C17H22N6O2S MolecularWeight: 374.46058

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)CSC1=NN=C(N1C2CC2)C3=CC=NC=C3

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)CSC1=NN=C(N1C2CC2)C3=CC=NC=C3

InChI

InChI=1S/C17H22N6O2S/c1-3-19-16(25)11(2)20-14(24)10-26-17-22-21-15(23(17)13-4-5-13)12-6-8-18-9-7-12/h6-9,11,13H,3-5,10H2,1-2H3,(H,19,25)(H,20,24)/t11-/m0/s1