N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-1,3,5-trimethyl-pyrazole-4-sulfonamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-1,3,5-trimethyl-pyrazole-4-sulfonamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-1,3,5-trimethyl-pyrazole-4-sulfonamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1,3,5-trimethyl-4-pyrazolesulfonamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1,3,5-trimethylpyrazole-4-sulfonamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-1,3,5-trimethyl-pyrazole-4-sulfonamide Formula: C20H20N4O2S2 MolecularWeight: 412.5284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NS(=O)(=O)C4=C(N(N=C4C)C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NS(=O)(=O)C4=C(N(N=C4C)C)C

InChI

InChI=1S/C20H20N4O2S2/c1-12-11-15(20-21-17-7-5-6-8-18(17)27-20)9-10-16(12)23-28(25,26)19-13(2)22-24(4)14(19)3/h5-11,23H,1-4H3