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

Systemtic Name: 4-(1,3-dithian-2-yl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]benzamide Openeye Name: 4-(1,3-dithian-2-yl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]benzamide CAS Name: 4-(1,3-dithian-2-yl)-N-[2-[(4-ethylphenyl)methyl]-3-pyrazolyl]benzamide IUPAC Name: 4-(1,3-dithian-2-yl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]benzamide Traditional Name: 4-(1,3-dithian-2-yl)-N-[2-(4-ethylbenzyl)pyrazol-3-yl]benzamide Formula: C23H25N3OS2 MolecularWeight: 423.5941

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)C3=CC=C(C=C3)C4SCCCS4

Isomeric SMILES

CCC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)C3=CC=C(C=C3)C4SCCCS4

InChI

InChI=1S/C23H25N3OS2/c1-2-17-4-6-18(7-5-17)16-26-21(12-13-24-26)25-22(27)19-8-10-20(11-9-19)23-28-14-3-15-29-23/h4-13,23H,2-3,14-16H2,1H3,(H,25,27)