4-[(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(1-amino-4-phenyl-imidazol-2-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(1-amino-4-phenyl-2-imidazolyl)thio]methyl]benzonitrile IUPAC Name: 4-[(1-amino-4-phenylimidazol-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(1-amino-4-phenyl-imidazol-2-yl)thio]methyl]benzonitrile Formula: C17H14N4S MolecularWeight: 306.38486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(C(=N2)SCC3=CC=C(C=C3)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(C(=N2)SCC3=CC=C(C=C3)C#N)N

InChI

InChI=1S/C17H14N4S/c18-10-13-6-8-14(9-7-13)12-22-17-20-16(11-21(17)19)15-4-2-1-3-5-15/h1-9,11H,12,19H2