2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole

Systemtic Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1,3-benzothiazole Formula: C13H14N4S2 MolecularWeight: 290.40706

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCC1=NC(=NN1)SCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C13H14N4S2/c1-2-5-11-15-13(17-16-11)18-8-12-14-9-6-3-4-7-10(9)19-12/h3-4,6-7H,2,5,8H2,1H3,(H,15,16,17)