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

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

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H16N4S2/c1-2-12-7-9-13(10-8-12)17-20-18(22-21-17)23-11-16-19-14-5-3-4-6-15(14)24-16/h3-10H,2,11H2,1H3,(H,20,21,22)