3-[2-(2-sulfanylideneimidazolidin-1-yl)ethyl]benzenecarbonitrile

Systemtic Name: 3-[2-(2-sulfanylideneimidazolidin-1-yl)ethyl]benzenecarbonitrile Openeye Name: 3-[2-(2-thioxoimidazolidin-1-yl)ethyl]benzonitrile CAS Name: 3-[2-(2-sulfanylidene-1-imidazolidinyl)ethyl]benzonitrile IUPAC Name: 3-[2-(2-sulfanylideneimidazolidin-1-yl)ethyl]benzonitrile Traditional Name: 3-[2-(2-thioxoimidazolidin-1-yl)ethyl]benzonitrile Formula: C12H13N3S MolecularWeight: 231.31672

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=S)N1)CCC2=CC=CC(=C2)C#N

Isomeric SMILES

C1CN(C(=S)N1)CCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C12H13N3S/c13-9-11-3-1-2-10(8-11)4-6-15-7-5-14-12(15)16/h1-3,8H,4-7H2,(H,14,16)