2-[2-[(4-chlorophenyl)methylsulfonyl]ethylsulfanyl]-4,6-diphenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-[(4-chlorophenyl)methylsulfonyl]ethylsulfanyl]-4,6-diphenyl-pyridine-3-carbonitrile Openeye Name: 2-[2-[(4-chlorophenyl)methylsulfonyl]ethylsulfanyl]-4,6-diphenyl-pyridine-3-carbonitrile CAS Name: 2-[2-[(4-chlorophenyl)methylsulfonyl]ethylthio]-4,6-diphenyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-[(4-chlorophenyl)methylsulfonyl]ethylsulfanyl]-4,6-diphenylpyridine-3-carbonitrile Traditional Name: 2-[2-(4-chlorobenzyl)sulfonylethylthio]-4,6-diphenyl-nicotinonitrile Formula: C27H21ClN2O2S2 MolecularWeight: 505.05084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCS(=O)(=O)CC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCS(=O)(=O)CC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C27H21ClN2O2S2/c28-23-13-11-20(12-14-23)19-34(31,32)16-15-33-27-25(18-29)24(21-7-3-1-4-8-21)17-26(30-27)22-9-5-2-6-10-22/h1-14,17H,15-16,19H2