4-[[1,1-bis(oxidanylidene)thian-4-yl]amino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[[1,1-bis(oxidanylidene)thian-4-yl]amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[(1,1-dioxothian-4-yl)amino]-3-nitro-benzonitrile CAS Name: 4-[(1,1-dioxo-4-thianyl)amino]-3-nitrobenzonitrile IUPAC Name: 4-[(1,1-dioxothian-4-yl)amino]-3-nitrobenzonitrile Traditional Name: 4-[(1,1-diketothian-4-yl)amino]-3-nitro-benzonitrile Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1NC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)CCC1NC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O4S/c13-8-9-1-2-11(12(7-9)15(16)17)14-10-3-5-20(18,19)6-4-10/h1-2,7,10,14H,3-6H2