2-[(E)-[3-(oxan-2-ylmethyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene]methyl]benzenecarbonitrile

Systemtic Name: 2-[(E)-[3-(oxan-2-ylmethyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene]methyl]benzenecarbonitrile Openeye Name: 2-[(E)-[5-oxo-3-(tetrahydropyran-2-ylmethyl)-2-thioxo-imidazolidin-4-ylidene]methyl]benzonitrile CAS Name: 2-[(E)-[3-(2-oxanylmethyl)-5-oxo-2-sulfanylidene-4-imidazolidinylidene]methyl]benzonitrile IUPAC Name: 2-[(E)-[3-(oxan-2-ylmethyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]benzonitrile Traditional Name: 2-[(E)-[5-keto-3-(tetrahydropyran-2-ylmethyl)-2-thioxo-imidazolidin-4-ylidene]methyl]benzonitrile Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CN2C(=CC3=CC=CC=C3C#N)C(=O)NC2=S

Isomeric SMILES

C1CCOC(C1)CN2/C(=C/C3=CC=CC=C3C#N)/C(=O)NC2=S

InChI

InChI=1S/C17H17N3O2S/c18-10-13-6-2-1-5-12(13)9-15-16(21)19-17(23)20(15)11-14-7-3-4-8-22-14/h1-2,5-6,9,14H,3-4,7-8,11H2,(H,19,21,23)/b15-9+