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

Systemtic Name: 2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole Formula: C15H12N4S3 MolecularWeight: 344.47758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CSC3=NNC(=N3)CC4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CSC3=NNC(=N3)CC4=CC=CS4

InChI

InChI=1S/C15H12N4S3/c1-2-6-12-11(5-1)16-14(22-12)9-21-15-17-13(18-19-15)8-10-4-3-7-20-10/h1-7H,8-9H2,(H,17,18,19)