2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-1,3-benzothiazole Formula: C18H16N4S2 MolecularWeight: 352.47644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=NC3=CC=CC=C3S2)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2=NC3=CC=CC=C3S2)CC4=CC=CC=C4

InChI

InChI=1S/C18H16N4S2/c1-22-16(11-13-7-3-2-4-8-13)20-21-18(22)23-12-17-19-14-9-5-6-10-15(14)24-17/h2-10H,11-12H2,1H3