(2S)-N-ethyl-2-[2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]propanamide

Systemtic Name: (2S)-N-ethyl-2-[2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]propanamide Openeye Name: (2S)-N-ethyl-2-[[2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]propanamide CAS Name: (2S)-N-ethyl-2-[[1-oxo-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]propanamide IUPAC Name: (2S)-N-ethyl-2-[[2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]propanamide Traditional Name: (2S)-N-ethyl-2-[[2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]propionamide Formula: C17H23N5O3S MolecularWeight: 377.46122

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)CSC1=NNC(=O)N1CCC2=CC=CC=C2

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)CSC1=NNC(=O)N1CCC2=CC=CC=C2

InChI

InChI=1S/C17H23N5O3S/c1-3-18-15(24)12(2)19-14(23)11-26-17-21-20-16(25)22(17)10-9-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3,(H,18,24)(H,19,23)(H,20,25)/t12-/m0/s1