2-(3,5-dinitrophenyl)sulfanyl-6-methyl-1H-benzimidazole

Systemtic Name: 2-(3,5-dinitrophenyl)sulfanyl-6-methyl-1H-benzimidazole Openeye Name: 2-(3,5-dinitrophenyl)sulfanyl-6-methyl-1H-benzimidazole CAS Name: 2-[(3,5-dinitrophenyl)thio]-6-methyl-1H-benzimidazole IUPAC Name: 2-(3,5-dinitrophenyl)sulfanyl-6-methyl-1H-benzimidazole Traditional Name: 2-[(3,5-dinitrophenyl)thio]-6-methyl-1H-benzimidazole Formula: C14H10N4O4S MolecularWeight: 330.3186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H10N4O4S/c1-8-2-3-12-13(4-8)16-14(15-12)23-11-6-9(17(19)20)5-10(7-11)18(21)22/h2-7H,1H3,(H,15,16)