2-(2,4-dinitrophenyl)sulfanyl-1-propyl-benzimidazole

Systemtic Name: 2-(2,4-dinitrophenyl)sulfanyl-1-propyl-benzimidazole Openeye Name: 2-(2,4-dinitrophenyl)sulfanyl-1-propyl-benzimidazole CAS Name: 2-[(2,4-dinitrophenyl)thio]-1-propylbenzimidazole IUPAC Name: 2-(2,4-dinitrophenyl)sulfanyl-1-propylbenzimidazole Traditional Name: 2-[(2,4-dinitrophenyl)thio]-1-propyl-benzimidazole Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O4S/c1-2-9-18-13-6-4-3-5-12(13)17-16(18)25-15-8-7-11(19(21)22)10-14(15)20(23)24/h3-8,10H,2,9H2,1H3