N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-1-phenyl-pyrazole-4-carboxamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide Traditional Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-1-phenyl-pyrazole-4-carboxamide Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)C3=C(N(N=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)C3=C(N(N=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C20H18N4OS/c1-12-9-10-13(2)18-17(12)22-20(26-18)23-19(25)16-11-21-24(14(16)3)15-7-5-4-6-8-15/h4-11H,1-3H3,(H,22,23,25)