4-azanyl-2-methylsulfonyl-5-(4-nitrophenyl)carbonyl-thiophene-3-carbonitrile

Systemtic Name: 4-azanyl-2-methylsulfonyl-5-(4-nitrophenyl)carbonyl-thiophene-3-carbonitrile Openeye Name: 4-amino-2-methylsulfonyl-5-(4-nitrobenzoyl)thiophene-3-carbonitrile CAS Name: 4-amino-2-methylsulfonyl-5-[(4-nitrophenyl)-oxomethyl]-3-thiophenecarbonitrile IUPAC Name: 4-amino-2-methylsulfonyl-5-(4-nitrobenzoyl)thiophene-3-carbonitrile Traditional Name: 4-amino-2-mesyl-5-(4-nitrobenzoyl)thiophene-3-carbonitrile Formula: C13H9N3O5S2 MolecularWeight: 351.35766

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=C(S1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])N)C#N

Isomeric SMILES

CS(=O)(=O)C1=C(C(=C(S1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C13H9N3O5S2/c1-23(20,21)13-9(6-14)10(15)12(22-13)11(17)7-2-4-8(5-3-7)16(18)19/h2-5H,15H2,1H3