4-(3-bromophenyl)sulfanyl-5-nitro-thiophene-2-carbonitrile

Systemtic Name: 4-(3-bromophenyl)sulfanyl-5-nitro-thiophene-2-carbonitrile Openeye Name: 4-(3-bromophenyl)sulfanyl-5-nitro-thiophene-2-carbonitrile CAS Name: 4-[(3-bromophenyl)thio]-5-nitro-2-thiophenecarbonitrile IUPAC Name: 4-(3-bromophenyl)sulfanyl-5-nitrothiophene-2-carbonitrile Traditional Name: 4-[(3-bromophenyl)thio]-5-nitro-thiophene-2-carbonitrile Formula: C11H5BrN2O2S2 MolecularWeight: 341.2036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)SC2=C(SC(=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)SC2=C(SC(=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C11H5BrN2O2S2/c12-7-2-1-3-8(4-7)17-10-5-9(6-13)18-11(10)14(15)16/h1-5H