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

Systemtic Name: 2-[(E)-[3-(3-methylbutyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene]methyl]benzenecarbonitrile Openeye Name: 2-[(E)-(3-isopentyl-5-oxo-2-thioxo-imidazolidin-4-ylidene)methyl]benzonitrile CAS Name: 2-[(E)-[3-(3-methylbutyl)-5-oxo-2-sulfanylidene-4-imidazolidinylidene]methyl]benzonitrile IUPAC Name: 2-[(E)-[3-(3-methylbutyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]benzonitrile Traditional Name: 2-[(E)-(3-isoamyl-5-keto-2-thioxo-imidazolidin-4-ylidene)methyl]benzonitrile Formula: C16H17N3OS MolecularWeight: 299.39068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=CC2=CC=CC=C2C#N)C(=O)NC1=S

Isomeric SMILES

CC(C)CCN1/C(=C/C2=CC=CC=C2C#N)/C(=O)NC1=S

InChI

InChI=1S/C16H17N3OS/c1-11(2)7-8-19-14(15(20)18-16(19)21)9-12-5-3-4-6-13(12)10-17/h3-6,9,11H,7-8H2,1-2H3,(H,18,20,21)/b14-9+