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

Systemtic Name: 4-[[1,1-bis(oxidanylidene)thian-4-yl]amino]-3-bromanyl-benzenecarbonitrile Openeye Name: 3-bromo-4-[(1,1-dioxothian-4-yl)amino]benzonitrile CAS Name: 3-bromo-4-[(1,1-dioxo-4-thianyl)amino]benzonitrile IUPAC Name: 3-bromo-4-[(1,1-dioxothian-4-yl)amino]benzonitrile Traditional Name: 3-bromo-4-[(1,1-diketothian-4-yl)amino]benzonitrile Formula: C12H13BrN2O2S MolecularWeight: 329.21282

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1NC2=C(C=C(C=C2)C#N)Br

Isomeric SMILES

C1CS(=O)(=O)CCC1NC2=C(C=C(C=C2)C#N)Br

InChI

InChI=1S/C12H13BrN2O2S/c13-11-7-9(8-14)1-2-12(11)15-10-3-5-18(16,17)6-4-10/h1-2,7,10,15H,3-6H2