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

Systemtic Name: 4-[2-[(2-sulfanylidene-1,3-dihydroimidazol-4-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 4-[2-[(2-thioxo-1,3-dihydroimidazol-4-yl)methyl]phenyl]benzonitrile CAS Name: 4-[2-[(2-sulfanylidene-1,3-dihydroimidazol-4-yl)methyl]phenyl]benzonitrile IUPAC Name: 4-[2-[(2-sulfanylidene-1,3-dihydroimidazol-4-yl)methyl]phenyl]benzonitrile Traditional Name: 4-[2-[(2-thioxo-4-imidazolin-4-yl)methyl]phenyl]benzonitrile Formula: C17H13N3S MolecularWeight: 291.37022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=CNC(=S)N2)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CC2=CNC(=S)N2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H13N3S/c18-10-12-5-7-13(8-6-12)16-4-2-1-3-14(16)9-15-11-19-17(21)20-15/h1-8,11H,9H2,(H2,19,20,21)