3-(3-methyl-4-phenyl-2-sulfanylidene-imidazolidin-1-yl)propanenitrile

Systemtic Name: 3-(3-methyl-4-phenyl-2-sulfanylidene-imidazolidin-1-yl)propanenitrile Openeye Name: 3-(3-methyl-4-phenyl-2-thioxo-imidazolidin-1-yl)propanenitrile CAS Name: 3-(3-methyl-4-phenyl-2-sulfanylidene-1-imidazolidinyl)propanenitrile IUPAC Name: 3-(3-methyl-4-phenyl-2-sulfanylideneimidazolidin-1-yl)propanenitrile Traditional Name: 3-(3-methyl-4-phenyl-2-thioxo-imidazolidin-1-yl)propionitrile Formula: C13H15N3S MolecularWeight: 245.3433

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(CN(C1=S)CCC#N)C2=CC=CC=C2

Isomeric SMILES

CN1C(CN(C1=S)CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C13H15N3S/c1-15-12(11-6-3-2-4-7-11)10-16(13(15)17)9-5-8-14/h2-4,6-7,12H,5,9-10H2,1H3