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

Systemtic Name: (2R)-N-(4-acetamidophenyl)-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(4-acetamidophenyl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2R)-N-(4-acetamidophenyl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(4-acetamidophenyl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(4-acetamidophenyl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C13H16N6O2S MolecularWeight: 320.37014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=NNC(=N2)N

InChI

InChI=1S/C13H16N6O2S/c1-7(22-13-17-12(14)18-19-13)11(21)16-10-5-3-9(4-6-10)15-8(2)20/h3-7H,1-2H3,(H,15,20)(H,16,21)(H3,14,17,18,19)/t7-/m1/s1