4-(4-bromophenyl)-6-phenyl-2-prop-2-enylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4-(4-bromophenyl)-6-phenyl-2-prop-2-enylsulfanyl-pyridine-3-carbonitrile Openeye Name: 2-allylsulfanyl-4-(4-bromophenyl)-6-phenyl-pyridine-3-carbonitrile CAS Name: 4-(4-bromophenyl)-6-phenyl-2-(prop-2-enylthio)-3-pyridinecarbonitrile IUPAC Name: 4-(4-bromophenyl)-6-phenyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile Traditional Name: 2-(allylthio)-4-(4-bromophenyl)-6-phenyl-nicotinonitrile Formula: C21H15BrN2S MolecularWeight: 407.3262

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)Br)C#N

Isomeric SMILES

C=CCSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)Br)C#N

InChI

InChI=1S/C21H15BrN2S/c1-2-12-25-21-19(14-23)18(15-8-10-17(22)11-9-15)13-20(24-21)16-6-4-3-5-7-16/h2-11,13H,1,12H2