3-[1-(phenylmethyl)imidazol-2-yl]sulfanylpropanenitrile

Systemtic Name: 3-[1-(phenylmethyl)imidazol-2-yl]sulfanylpropanenitrile Openeye Name: 3-(1-benzylimidazol-2-yl)sulfanylpropanenitrile CAS Name: 3-[[1-(phenylmethyl)-2-imidazolyl]thio]propanenitrile IUPAC Name: 3-(1-benzylimidazol-2-yl)sulfanylpropanenitrile Traditional Name: 3-[(1-benzylimidazol-2-yl)thio]propionitrile Formula: C13H13N3S MolecularWeight: 243.32742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CN=C2SCCC#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CN=C2SCCC#N

InChI

InChI=1S/C13H13N3S/c14-7-4-10-17-13-15-8-9-16(13)11-12-5-2-1-3-6-12/h1-3,5-6,8-9H,4,10-11H2