5-[1-(2-phenyl-1,3-thiazol-4-yl)-1-sulfanyl-ethyl]-1,2-dihydro-1,2,4-triazol-3-one

Systemtic Name: 5-[1-(2-phenyl-1,3-thiazol-4-yl)-1-sulfanyl-ethyl]-1,2-dihydro-1,2,4-triazol-3-one Openeye Name: 5-[1-(2-phenylthiazol-4-yl)-1-sulfanyl-ethyl]-1,2-dihydro-1,2,4-triazol-3-one CAS Name: 5-[1-mercapto-1-(2-phenyl-4-thiazolyl)ethyl]-1,2-dihydro-1,2,4-triazol-3-one IUPAC Name: 5-[1-(2-phenyl-1,3-thiazol-4-yl)-1-sulfanylethyl]-1,2-dihydro-1,2,4-triazol-3-one Traditional Name: 5-[1-mercapto-1-(2-phenylthiazol-4-yl)ethyl]-1,2-dihydro-1,2,4-triazol-3-one Formula: C13H12N4OS2 MolecularWeight: 304.39058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CSC(=N1)C2=CC=CC=C2)(C3=NC(=O)NN3)S

Isomeric SMILES

CC(C1=CSC(=N1)C2=CC=CC=C2)(C3=NC(=O)NN3)S

InChI

InChI=1S/C13H12N4OS2/c1-13(19,11-15-12(18)17-16-11)9-7-20-10(14-9)8-5-3-2-4-6-8/h2-7,19H,1H3,(H2,15,16,17,18)