2-[(3,5-dinitrophenyl)methylsulfanyl]-6-methyl-1H-benzimidazole

Systemtic Name: 2-[(3,5-dinitrophenyl)methylsulfanyl]-6-methyl-1H-benzimidazole Openeye Name: 2-[(3,5-dinitrophenyl)methylsulfanyl]-6-methyl-1H-benzimidazole CAS Name: 2-[(3,5-dinitrophenyl)methylthio]-6-methyl-1H-benzimidazole IUPAC Name: 2-[(3,5-dinitrophenyl)methylsulfanyl]-6-methyl-1H-benzimidazole Traditional Name: 2-[(3,5-dinitrobenzyl)thio]-6-methyl-1H-benzimidazole Formula: C15H12N4O4S MolecularWeight: 344.34518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O4S/c1-9-2-3-13-14(4-9)17-15(16-13)24-8-10-5-11(18(20)21)7-12(6-10)19(22)23/h2-7H,8H2,1H3,(H,16,17)