3-azanyl-4-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]benzenecarbonitrile

Systemtic Name: 3-azanyl-4-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]benzenecarbonitrile Openeye Name: 3-amino-4-[(1,1-dioxothiolan-3-yl)-methyl-amino]benzonitrile CAS Name: 3-amino-4-[(1,1-dioxo-3-thiolanyl)-methylamino]benzonitrile IUPAC Name: 3-amino-4-[(1,1-dioxothiolan-3-yl)-methylamino]benzonitrile Traditional Name: 3-amino-4-[(1,1-diketothiolan-3-yl)-methyl-amino]benzonitrile Formula: C12H15N3O2S MolecularWeight: 265.3314

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C2=C(C=C(C=C2)C#N)N

Isomeric SMILES

CN(C1CCS(=O)(=O)C1)C2=C(C=C(C=C2)C#N)N

InChI

InChI=1S/C12H15N3O2S/c1-15(10-4-5-18(16,17)8-10)12-3-2-9(7-13)6-11(12)14/h2-3,6,10H,4-5,8,14H2,1H3