N-[4-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]ethanamide

Systemtic Name: N-[4-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]ethanamide Openeye Name: N-[4-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]acetamide CAS Name: N-[4-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxopropyl]phenyl]acetamide IUPAC Name: N-[4-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]acetamide Traditional Name: N-[4-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]propanoyl]phenyl]acetamide Formula: C13H15N5O2S MolecularWeight: 305.3555

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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