4-[[(2R)-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide

Systemtic Name: 4-[[(2R)-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide Openeye Name: 4-[[(2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide CAS Name: 4-[[(2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[[(2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide Traditional Name: 4-[[(2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]propanoyl]amino]benzamide Formula: C12H14N6O2S MolecularWeight: 306.34356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N6O2S/c1-6(21-12-16-11(14)17-18-12)10(20)15-8-4-2-7(3-5-8)9(13)19/h2-6H,1H3,(H2,13,19)(H,15,20)(H3,14,16,17,18)/t6-/m1/s1