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

Systemtic Name: 2-[3-[(4-chlorophenyl)amino]-2-oxidanyl-propyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[3-(4-chloroanilino)-2-hydroxy-propyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[3-(4-chloroanilino)-2-hydroxypropyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[3-(4-chloroanilino)-2-hydroxypropyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[3-(4-chloroanilino)-2-hydroxy-propyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C17H18ClN3OS MolecularWeight: 347.86232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(CNC2=CC=C(C=C2)Cl)O)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(CNC2=CC=C(C=C2)Cl)O)C

InChI

InChI=1S/C17H18ClN3OS/c1-11-7-12(2)21-17(16(11)8-19)23-10-15(22)9-20-14-5-3-13(18)4-6-14/h3-7,15,20,22H,9-10H2,1-2H3