2-phenylsulfanyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)butanenitrile

Systemtic Name: 2-phenylsulfanyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)butanenitrile Openeye Name: 2-phenylsulfanyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)butanenitrile CAS Name: 2-(phenylthio)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)butanenitrile IUPAC Name: 2-phenylsulfanyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)butanenitrile Traditional Name: 2-(phenylthio)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)butyronitrile Formula: C14H17N3S MolecularWeight: 259.36988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)(C1=NCCCN1)SC2=CC=CC=C2

Isomeric SMILES

CCC(C#N)(C1=NCCCN1)SC2=CC=CC=C2

InChI

InChI=1S/C14H17N3S/c1-2-14(11-15,13-16-9-6-10-17-13)18-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-10H2,1H3,(H,16,17)