N-[3-(1,3-dithian-2-yl)phenyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide

Systemtic Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide Openeye Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide CAS Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide IUPAC Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide Traditional Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-(3-methyl-2-pyrazolin-1-yl)benzamide Formula: C21H23N3OS2 MolecularWeight: 397.55682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(CC1)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C4SCCCS4

Isomeric SMILES

CC1=NN(CC1)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C4SCCCS4

InChI

InChI=1S/C21H23N3OS2/c1-15-10-11-24(23-15)19-8-6-16(7-9-19)20(25)22-18-5-2-4-17(14-18)21-26-12-3-13-27-21/h2,4-9,14,21H,3,10-13H2,1H3,(H,22,25)