5-[3,5-bis(chloranyl)phenyl]sulfanyl-2-methyl-4-phenyl-1-(pyridin-4-ylmethyl)pyrrole-3-carbonitrile

Systemtic Name: 5-[3,5-bis(chloranyl)phenyl]sulfanyl-2-methyl-4-phenyl-1-(pyridin-4-ylmethyl)pyrrole-3-carbonitrile Openeye Name: 5-(3,5-dichlorophenyl)sulfanyl-2-methyl-4-phenyl-1-(4-pyridylmethyl)pyrrole-3-carbonitrile CAS Name: 5-[(3,5-dichlorophenyl)thio]-2-methyl-4-phenyl-1-(pyridin-4-ylmethyl)-3-pyrrolecarbonitrile IUPAC Name: 5-(3,5-dichlorophenyl)sulfanyl-2-methyl-4-phenyl-1-(pyridin-4-ylmethyl)pyrrole-3-carbonitrile Traditional Name: 5-[(3,5-dichlorophenyl)thio]-2-methyl-4-phenyl-1-(4-pyridylmethyl)pyrrole-3-carbonitrile Formula: C24H17Cl2N3S MolecularWeight: 450.38288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=NC=C2)SC3=CC(=CC(=C3)Cl)Cl)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=NC=C2)SC3=CC(=CC(=C3)Cl)Cl)C4=CC=CC=C4)C#N

InChI

InChI=1S/C24H17Cl2N3S/c1-16-22(14-27)23(18-5-3-2-4-6-18)24(29(16)15-17-7-9-28-10-8-17)30-21-12-19(25)11-20(26)13-21/h2-13H,15H2,1H3