4-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]-1-phenyl-cyclohexane-1-carbonitrile; ethanedioic acid

Systemtic Name: 4-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]-1-phenyl-cyclohexane-1-carbonitrile; ethanedioic acid Openeye Name: 4-[(1,1-dioxothiolan-3-yl)amino]-1-phenyl-cyclohexanecarbonitrile; oxalic acid CAS Name: 4-[(1,1-dioxo-3-thiolanyl)amino]-1-phenyl-1-cyclohexanecarbonitrile; oxalic acid IUPAC Name: 4-[(1,1-dioxothiolan-3-yl)amino]-1-phenylcyclohexane-1-carbonitrile; oxalic acid Traditional Name: 4-[(1,1-diketothiolan-3-yl)amino]-1-phenyl-cyclohexanecarbonitrile; oxalic acid Formula: C19H24N2O6S MolecularWeight: 408.46866

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2CCS(=O)(=O)C2)(C#N)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(CCC1NC2CCS(=O)(=O)C2)(C#N)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H22N2O2S.C2H2O4/c18-13-17(14-4-2-1-3-5-14)9-6-15(7-10-17)19-16-8-11-22(20,21)12-16;3-1(4)2(5)6/h1-5,15-16,19H,6-12H2;(H,3,4)(H,5,6)