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

Systemtic Name: 4-(1,3-dithian-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide Openeye Name: 4-(1,3-dithian-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide CAS Name: 4-(1,3-dithian-2-yl)-N-[3-(1-pyrazolylmethyl)phenyl]benzamide IUPAC Name: 4-(1,3-dithian-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide Traditional Name: 4-(1,3-dithian-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide Formula: C21H21N3OS2 MolecularWeight: 395.54094

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)CN4C=CC=N4

Isomeric SMILES

C1CSC(SC1)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)CN4C=CC=N4

InChI

InChI=1S/C21H21N3OS2/c25-20(17-6-8-18(9-7-17)21-26-12-3-13-27-21)23-19-5-1-4-16(14-19)15-24-11-2-10-22-24/h1-2,4-11,14,21H,3,12-13,15H2,(H,23,25)