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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethanoylphenyl)propanamide Openeye Name: N-(4-acetylphenyl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(4-acetylphenyl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-acetylphenyl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-acetylphenyl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C13H15N5O2S MolecularWeight: 305.3555

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NNC(=N2)N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NNC(=N2)N

InChI

InChI=1S/C13H15N5O2S/c1-7(19)9-3-5-10(6-4-9)15-11(20)8(2)21-13-16-12(14)17-18-13/h3-6,8H,1-2H3,(H,15,20)(H3,14,16,17,18)