3-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-(1,3-benzothiazol-2-ylmethylthio)-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-(1,3-benzothiazol-2-ylmethylthio)-4-propyl-1H-1,2,4-triazol-5-one Formula: C13H14N4OS2 MolecularWeight: 306.40646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C13H14N4OS2/c1-2-7-17-12(18)15-16-13(17)19-8-11-14-9-5-3-4-6-10(9)20-11/h3-6H,2,7-8H2,1H3,(H,15,18)