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

Systemtic Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole Formula: C16H11BrN4S2 MolecularWeight: 403.31934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrN4S2/c17-11-6-2-1-5-10(11)15-19-16(21-20-15)22-9-14-18-12-7-3-4-8-13(12)23-14/h1-8H,9H2,(H,19,20,21)