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

Systemtic Name: 2-[4-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[(1-cyclopropyl-2-imidazolyl)thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[(1-cyclopropylimidazol-2-yl)thio]methyl]phenyl]benzonitrile Formula: C20H17N3S MolecularWeight: 331.43408

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=CN=C2SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

C1CC1N2C=CN=C2SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H17N3S/c21-13-17-3-1-2-4-19(17)16-7-5-15(6-8-16)14-24-20-22-11-12-23(20)18-9-10-18/h1-8,11-12,18H,9-10,14H2