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

Systemtic Name: 4-(1,3-dithian-2-yl)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide Openeye Name: 4-(1,3-dithian-2-yl)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide CAS Name: 4-(1,3-dithian-2-yl)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide IUPAC Name: 4-(1,3-dithian-2-yl)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide Traditional Name: 4-(1,3-dithian-2-yl)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN=C1C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)C4SCCCS4

Isomeric SMILES

CCN1C=NN=C1C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)C4SCCCS4

InChI

InChI=1S/C21H22N4OS2/c1-2-25-14-22-24-19(25)17-5-3-6-18(13-17)23-20(26)15-7-9-16(10-8-15)21-27-11-4-12-28-21/h3,5-10,13-14,21H,2,4,11-12H2,1H3,(H,23,26)