4-[5-[(2-sulfanylidene-1,3-dihydroimidazol-4-yl)methyl]cyclopenten-1-yl]benzenecarbonitrile

Systemtic Name: 4-[5-[(2-sulfanylidene-1,3-dihydroimidazol-4-yl)methyl]cyclopenten-1-yl]benzenecarbonitrile Openeye Name: 4-[5-[(2-thioxo-1,3-dihydroimidazol-4-yl)methyl]cyclopenten-1-yl]benzonitrile CAS Name: 4-[5-[(2-sulfanylidene-1,3-dihydroimidazol-4-yl)methyl]-1-cyclopentenyl]benzonitrile IUPAC Name: 4-[5-[(2-sulfanylidene-1,3-dihydroimidazol-4-yl)methyl]cyclopenten-1-yl]benzonitrile Traditional Name: 4-[5-[(2-thioxo-4-imidazolin-4-yl)methyl]cyclopenten-1-yl]benzonitrile Formula: C16H15N3S MolecularWeight: 281.3754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=C1)C2=CC=C(C=C2)C#N)CC3=CNC(=S)N3

Isomeric SMILES

C1CC(C(=C1)C2=CC=C(C=C2)C#N)CC3=CNC(=S)N3

InChI

InChI=1S/C16H15N3S/c17-9-11-4-6-12(7-5-11)15-3-1-2-13(15)8-14-10-18-16(20)19-14/h3-7,10,13H,1-2,8H2,(H2,18,19,20)