2-[[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(2-amino-2-oxo-ethyl)sulfanyl-1-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-[(2-amino-2-oxoethyl)thio]-1-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-(2-amino-2-oxoethyl)sulfanyl-1-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[(2-amino-2-keto-ethyl)thio]-1-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C12H13N5O2S2 MolecularWeight: 323.39392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC(=N2)SCC(=O)N)SCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC(=N2)SCC(=O)N)SCC(=O)N

InChI

InChI=1S/C12H13N5O2S2/c13-9(18)6-20-11-15-12(21-7-10(14)19)17(16-11)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,13,18)(H2,14,19)