4-[(E)-(5-oxidanylidene-1-propyl-2-sulfanylidene-imidazolidin-4-ylidene)methyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-(5-oxidanylidene-1-propyl-2-sulfanylidene-imidazolidin-4-ylidene)methyl]benzenecarbonitrile Openeye Name: 4-[(E)-(5-oxo-1-propyl-2-thioxo-imidazolidin-4-ylidene)methyl]benzonitrile CAS Name: 4-[(E)-(5-oxo-1-propyl-2-sulfanylidene-4-imidazolidinylidene)methyl]benzonitrile IUPAC Name: 4-[(E)-(5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]benzonitrile Traditional Name: 4-[(E)-(5-keto-1-propyl-2-thioxo-imidazolidin-4-ylidene)methyl]benzonitrile Formula: C14H13N3OS MolecularWeight: 271.33752

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=CC2=CC=C(C=C2)C#N)NC1=S

Isomeric SMILES

CCCN1C(=O)/C(=C\C2=CC=C(C=C2)C#N)/NC1=S

InChI

InChI=1S/C14H13N3OS/c1-2-7-17-13(18)12(16-14(17)19)8-10-3-5-11(9-15)6-4-10/h3-6,8H,2,7H2,1H3,(H,16,19)/b12-8+