2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-butan-2-yl]ethanamide

Systemtic Name: 2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-butan-2-yl]ethanamide Openeye Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-methylpropyl]acetamide CAS Name: 2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-[(2S)-butan-2-yl]acetamide IUPAC Name: 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-butan-2-yl]acetamide Traditional Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[(1S)-1-methylpropyl]acetamide Formula: C13H18N6OS MolecularWeight: 306.38662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NN=C(N1N)C2=CN=CC=C2

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=NN=C(N1N)C2=CN=CC=C2

InChI

InChI=1S/C13H18N6OS/c1-3-9(2)16-11(20)8-21-13-18-17-12(19(13)14)10-5-4-6-15-7-10/h4-7,9H,3,8,14H2,1-2H3,(H,16,20)/t9-/m0/s1