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

Systemtic Name: (2S)-2-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-propanamide Openeye Name: (2S)-2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-propanamide CAS Name: (2S)-2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-ethylpropanamide IUPAC Name: (2S)-2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethylpropanamide Traditional Name: (2S)-2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-ethyl-propionamide Formula: C14H19N5O2S MolecularWeight: 321.39796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N5O2S/c1-4-16-13(20)9(2)22-14-18-17-12(19(14)15)10-5-7-11(21-3)8-6-10/h5-9H,4,15H2,1-3H3,(H,16,20)/t9-/m0/s1