2-[[3-(2-azidoethylsulfanyl)-2-methyl-phenyl]methylsulfanyl]-1H-benzimidazole

Systemtic Name: 2-[[3-(2-azidoethylsulfanyl)-2-methyl-phenyl]methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[[3-(2-azidoethylsulfanyl)-2-methyl-phenyl]methylsulfanyl]-1H-benzimidazole CAS Name: 2-[[3-(2-azidoethylthio)-2-methylphenyl]methylthio]-1H-benzimidazole IUPAC Name: 2-[[3-(2-azidoethylsulfanyl)-2-methylphenyl]methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[[3-(2-azidoethylthio)-2-methyl-benzyl]thio]-1H-benzimidazole Formula: C17H17N5S2 MolecularWeight: 355.48038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCN=[N+]=[N-])CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=C(C=CC=C1SCCN=[N+]=[N-])CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C17H17N5S2/c1-12-13(5-4-8-16(12)23-10-9-19-22-18)11-24-17-20-14-6-2-3-7-15(14)21-17/h2-8H,9-11H2,1H3,(H,20,21)