N-[3-(1,3-dithian-2-yl)phenyl]-4-(2-methylsulfanylimidazol-1-yl)benzamide

Systemtic Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-(2-methylsulfanylimidazol-1-yl)benzamide Openeye Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-(2-methylsulfanylimidazol-1-yl)benzamide CAS Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-[2-(methylthio)-1-imidazolyl]benzamide IUPAC Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-(2-methylsulfanylimidazol-1-yl)benzamide Traditional Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-[2-(methylthio)imidazol-1-yl]benzamide Formula: C21H21N3OS3 MolecularWeight: 427.60594

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CN1C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C4SCCCS4

Isomeric SMILES

CSC1=NC=CN1C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C4SCCCS4

InChI

InChI=1S/C21H21N3OS3/c1-26-21-22-10-11-24(21)18-8-6-15(7-9-18)19(25)23-17-5-2-4-16(14-17)20-27-12-3-13-28-20/h2,4-11,14,20H,3,12-13H2,1H3,(H,23,25)