5-chloranyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(m-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(3-methylphenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(3-methylbenzyl)thio]pyrimidine-4-carboxamide Formula: C22H19ClN4OS2 MolecularWeight: 454.99546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N)Cl

InChI

InChI=1S/C22H19ClN4OS2/c1-13-5-4-6-14(9-13)12-29-22-25-11-17(23)19(26-22)20(28)27-21-16(10-24)15-7-2-3-8-18(15)30-21/h4-6,9,11H,2-3,7-8,12H2,1H3,(H,27,28)