1-[[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]methyl]-4,6-dimethyl-2-sulfanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-[[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]methyl]-4,6-dimethyl-2-sulfanylidene-pyridine-3-carbonitrile Openeye Name: 1-[[(5-bromo-2-methoxy-phenyl)methyl-methyl-amino]methyl]-4,6-dimethyl-2-thioxo-pyridine-3-carbonitrile CAS Name: 1-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]-4,6-dimethyl-2-sulfanylidene-3-pyridinecarbonitrile IUPAC Name: 1-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]-4,6-dimethyl-2-sulfanylidenepyridine-3-carbonitrile Traditional Name: 1-[[(5-bromo-2-methoxy-benzyl)-methyl-amino]methyl]-4,6-dimethyl-2-thioxo-nicotinonitrile Formula: C18H20BrN3OS MolecularWeight: 406.3399

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=S)N1CN(C)CC2=C(C=CC(=C2)Br)OC)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=S)N1CN(C)CC2=C(C=CC(=C2)Br)OC)C#N)C

InChI

InChI=1S/C18H20BrN3OS/c1-12-7-13(2)22(18(24)16(12)9-20)11-21(3)10-14-8-15(19)5-6-17(14)23-4/h5-8H,10-11H2,1-4H3