2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]ethanenitrile Openeye Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetonitrile CAS Name: 2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]acetonitrile IUPAC Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetonitrile Traditional Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)thio]acetonitrile Formula: C13H13N3S MolecularWeight: 243.32742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)SCC#N)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(N=C(N1)SCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C13H13N3S/c1-10-12(9-11-5-3-2-4-6-11)16-13(15-10)17-8-7-14/h2-6H,8-9H2,1H3,(H,15,16)