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

Systemtic Name: 4-(1,3-dithian-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Openeye Name: 4-(1,3-dithian-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide CAS Name: 4-(1,3-dithian-2-yl)-N-methyl-N-[(1-phenyl-4-pyrazolyl)methyl]benzamide IUPAC Name: 4-(1,3-dithian-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Traditional Name: 4-(1,3-dithian-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Formula: C22H23N3OS2 MolecularWeight: 409.56752

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C4SCCCS4

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C4SCCCS4

InChI

InChI=1S/C22H23N3OS2/c1-24(15-17-14-23-25(16-17)20-6-3-2-4-7-20)21(26)18-8-10-19(11-9-18)22-27-12-5-13-28-22/h2-4,6-11,14,16,22H,5,12-13,15H2,1H3