4-[1-(2-methylphenyl)imidazol-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[1-(2-methylphenyl)imidazol-2-yl]sulfanylbutanenitrile Openeye Name: 4-[1-(o-tolyl)imidazol-2-yl]sulfanylbutanenitrile CAS Name: 4-[[1-(2-methylphenyl)-2-imidazolyl]thio]butanenitrile IUPAC Name: 4-[1-(2-methylphenyl)imidazol-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[1-(o-tolyl)imidazol-2-yl]thio]butyronitrile Formula: C14H15N3S MolecularWeight: 257.354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=CN=C2SCCCC#N

Isomeric SMILES

CC1=CC=CC=C1N2C=CN=C2SCCCC#N

InChI

InChI=1S/C14H15N3S/c1-12-6-2-3-7-13(12)17-10-9-16-14(17)18-11-5-4-8-15/h2-3,6-7,9-10H,4-5,11H2,1H3