3-imidazol-1-yl-3-phenylsulfanyl-butanenitrile

Systemtic Name: 3-imidazol-1-yl-3-phenylsulfanyl-butanenitrile Openeye Name: 3-imidazol-1-yl-3-phenylsulfanyl-butanenitrile CAS Name: 3-(1-imidazolyl)-3-(phenylthio)butanenitrile IUPAC Name: 3-imidazol-1-yl-3-phenylsulfanylbutanenitrile Traditional Name: 3-imidazol-1-yl-3-(phenylthio)butyronitrile Formula: C13H13N3S MolecularWeight: 243.32742

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC#N)(N1C=CN=C1)SC2=CC=CC=C2

Isomeric SMILES

CC(CC#N)(N1C=CN=C1)SC2=CC=CC=C2

InChI

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