N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(phenylmethyl)-1,3-thiazole-4-carboxamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(phenylmethyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-benzyl-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiazole-4-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-2-(phenylmethyl)-4-thiazolecarboxamide IUPAC Name: 2-benzyl-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-benzyl-N-[2-[(2-cyanobenzyl)thio]ethyl]thiazole-4-carboxamide Formula: C21H19N3OS2 MolecularWeight: 393.52506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC(=CS2)C(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=CS2)C(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C21H19N3OS2/c22-13-17-8-4-5-9-18(17)14-26-11-10-23-21(25)19-15-27-20(24-19)12-16-6-2-1-3-7-16/h1-9,15H,10-12,14H2,(H,23,25)