4,6-dimethyl-2-[3-[(4-methylphenyl)amino]-2-oxidanyl-propyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-[3-[(4-methylphenyl)amino]-2-oxidanyl-propyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 2-[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-hydroxy-3-(4-methylanilino)propyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-hydroxy-3-(p-toluidino)propyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC(CSC2=C(C(=CC(=N2)C)C)C#N)O

Isomeric SMILES

CC1=CC=C(C=C1)NCC(CSC2=C(C(=CC(=N2)C)C)C#N)O

InChI

InChI=1S/C18H21N3OS/c1-12-4-6-15(7-5-12)20-10-16(22)11-23-18-17(9-19)13(2)8-14(3)21-18/h4-8,16,20,22H,10-11H2,1-3H3