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

Systemtic Name: (2S)-2-[[4-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-propanamide Openeye Name: (2S)-2-[(4-amino-5-benzylsulfanyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-propanamide CAS Name: (2S)-2-[[4-amino-5-(phenylmethylthio)-1,2,4-triazol-3-yl]thio]-N-ethylpropanamide IUPAC Name: (2S)-2-[(4-amino-5-benzylsulfanyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpropanamide Traditional Name: (2S)-2-[[4-amino-5-(benzylthio)-1,2,4-triazol-3-yl]thio]-N-ethyl-propionamide Formula: C14H19N5OS2 MolecularWeight: 337.46356

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)SC1=NN=C(N1N)SCC2=CC=CC=C2

Isomeric SMILES

CCNC(=O)[C@H](C)SC1=NN=C(N1N)SCC2=CC=CC=C2

InChI

InChI=1S/C14H19N5OS2/c1-3-16-12(20)10(2)22-14-18-17-13(19(14)15)21-9-11-7-5-4-6-8-11/h4-8,10H,3,9,15H2,1-2H3,(H,16,20)/t10-/m0/s1