3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2-sulfanylidene-1H-imidazole-4-carboxamide

Systemtic Name: 3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2-sulfanylidene-1H-imidazole-4-carboxamide Openeye Name: 3-phenyl-N-[4-(3-pyridylmethylsulfanyl)phenyl]-2-thioxo-1H-imidazole-4-carboxamide CAS Name: 3-phenyl-N-[4-(3-pyridinylmethylthio)phenyl]-2-sulfanylidene-1H-imidazole-4-carboxamide IUPAC Name: 3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2-sulfanylidene-1H-imidazole-4-carboxamide Traditional Name: 3-phenyl-N-[4-(3-pyridylmethylthio)phenyl]-2-thioxo-4-imidazoline-4-carboxamide Formula: C22H18N4OS2 MolecularWeight: 418.53452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CNC2=S)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CNC2=S)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C22H18N4OS2/c27-21(20-14-24-22(28)26(20)18-6-2-1-3-7-18)25-17-8-10-19(11-9-17)29-15-16-5-4-12-23-13-16/h1-14H,15H2,(H,24,28)(H,25,27)