2-[4-(4-bromophenyl)-4-oxidanylidene-butyl]sulfanyl-5-ethanoyl-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[4-(4-bromophenyl)-4-oxidanylidene-butyl]sulfanyl-5-ethanoyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[4-(4-bromophenyl)-4-oxo-butyl]sulfanyl-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-[[4-(4-bromophenyl)-4-oxobutyl]thio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-[4-(4-bromophenyl)-4-oxobutyl]sulfanyl-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[4-(4-bromophenyl)-4-keto-butyl]thio]-6-methyl-nicotinonitrile Formula: C19H17BrN2O2S MolecularWeight: 417.31948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCCCC(=O)C2=CC=C(C=C2)Br)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCCCC(=O)C2=CC=C(C=C2)Br)C#N)C(=O)C

InChI

InChI=1S/C19H17BrN2O2S/c1-12-17(13(2)23)10-15(11-21)19(22-12)25-9-3-4-18(24)14-5-7-16(20)8-6-14/h5-8,10H,3-4,9H2,1-2H3