N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-(1,3-dithian-2-yl)benzamide

Systemtic Name: N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-(1,3-dithian-2-yl)benzamide Openeye Name: N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-(1,3-dithian-2-yl)benzamide CAS Name: N-[2-[(4-chlorophenyl)methyl]-3-pyrazolyl]-4-(1,3-dithian-2-yl)benzamide IUPAC Name: N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-(1,3-dithian-2-yl)benzamide Traditional Name: N-[2-(4-chlorobenzyl)pyrazol-3-yl]-4-(1,3-dithian-2-yl)benzamide Formula: C21H20ClN3OS2 MolecularWeight: 429.986

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC=C(C=C2)C(=O)NC3=CC=NN3CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CSC(SC1)C2=CC=C(C=C2)C(=O)NC3=CC=NN3CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20ClN3OS2/c22-18-8-2-15(3-9-18)14-25-19(10-11-23-25)24-20(26)16-4-6-17(7-5-16)21-27-12-1-13-28-21/h2-11,21H,1,12-14H2,(H,24,26)