4-[[1,1-bis(oxidanylidene)thian-4-yl]amino]-2-chloranyl-benzenecarbonitrile

Systemtic Name: 4-[[1,1-bis(oxidanylidene)thian-4-yl]amino]-2-chloranyl-benzenecarbonitrile Openeye Name: 2-chloro-4-[(1,1-dioxothian-4-yl)amino]benzonitrile CAS Name: 2-chloro-4-[(1,1-dioxo-4-thianyl)amino]benzonitrile IUPAC Name: 2-chloro-4-[(1,1-dioxothian-4-yl)amino]benzonitrile Traditional Name: 2-chloro-4-[(1,1-diketothian-4-yl)amino]benzonitrile Formula: C12H13ClN2O2S MolecularWeight: 284.76182

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

C1CS(=O)(=O)CCC1NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C12H13ClN2O2S/c13-12-7-11(2-1-9(12)8-14)15-10-3-5-18(16,17)6-4-10/h1-2,7,10,15H,3-6H2