2-(1-methylbenzimidazol-2-yl)sulfanyl-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(1-methylbenzimidazol-2-yl)sulfanyl-5-nitro-benzenecarbonitrile Openeye Name: 2-(1-methylbenzimidazol-2-yl)sulfanyl-5-nitro-benzonitrile CAS Name: 2-[(1-methyl-2-benzimidazolyl)thio]-5-nitrobenzonitrile IUPAC Name: 2-(1-methylbenzimidazol-2-yl)sulfanyl-5-nitrobenzonitrile Traditional Name: 2-[(1-methylbenzimidazol-2-yl)thio]-5-nitro-benzonitrile Formula: C15H10N4O2S MolecularWeight: 310.3305

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CN1C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C15H10N4O2S/c1-18-13-5-3-2-4-12(13)17-15(18)22-14-7-6-11(19(20)21)8-10(14)9-16/h2-8H,1H3