2-(5-bromanyl-3,4-dinitro-thiophen-2-yl)sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-(5-bromanyl-3,4-dinitro-thiophen-2-yl)sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(5-bromo-3,4-dinitro-2-thienyl)sulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[(5-bromo-3,4-dinitro-2-thiophenyl)thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-(5-bromo-3,4-dinitrothiophen-2-yl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[(5-bromo-3,4-dinitro-2-thienyl)thio]-4,6-dimethyl-nicotinonitrile Formula: C12H7BrN4O4S2 MolecularWeight: 415.24238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SC2=C(C(=C(S2)Br)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SC2=C(C(=C(S2)Br)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C12H7BrN4O4S2/c1-5-3-6(2)15-11(7(5)4-14)23-12-9(17(20)21)8(16(18)19)10(13)22-12/h3H,1-2H3