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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CS2)CSCC3=NC(=O)NN3

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=CS2)CSCC3=NC(=O)NN3

InChI

InChI=1S/C13H12N4OS2/c18-13-15-11(16-17-13)8-19-6-10-7-20-12(14-10)9-4-2-1-3-5-9/h1-5,7H,6,8H2,(H2,15,16,17,18)