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

Systemtic Name: (2S)-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-benzyl-N-ethyl-propanamide CAS Name: (2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-ethyl-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-benzyl-N-ethylpropanamide Traditional Name: (2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-benzyl-N-ethyl-propionamide Formula: C14H19N5OS MolecularWeight: 305.39856

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C(C)SC2=NNC(=N2)N

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)[C@H](C)SC2=NNC(=N2)N

InChI

InChI=1S/C14H19N5OS/c1-3-19(9-11-7-5-4-6-8-11)12(20)10(2)21-14-16-13(15)17-18-14/h4-8,10H,3,9H2,1-2H3,(H3,15,16,17,18)/t10-/m0/s1