1-[(2-methylphenoxy)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide

Systemtic Name: 1-[(2-methylphenoxy)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide Openeye Name: 1-[(2-methylphenoxy)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide CAS Name: 1-[(2-methylphenoxy)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-pyrazolecarboxamide IUPAC Name: 1-[(2-methylphenoxy)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide Formula: C20H18N4O4S2 MolecularWeight: 442.51132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCN2C=CC(=N2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1OCN2C=CC(=N2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C20H18N4O4S2/c1-13-5-3-4-6-17(13)28-12-24-10-9-16(23-24)19(25)22-20-21-15-8-7-14(30(2,26)27)11-18(15)29-20/h3-11H,12H2,1-2H3,(H,21,22,25)