N-(6-methyl-1,3-benzothiazol-2-yl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-[(4-phenylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide Formula: C25H20N4O2S MolecularWeight: 440.5169

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C=C3)COC4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C=C3)COC4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H20N4O2S/c1-17-7-12-21-23(15-17)32-25(26-21)27-24(30)22-13-14-29(28-22)16-31-20-10-8-19(9-11-20)18-5-3-2-4-6-18/h2-15H,16H2,1H3,(H,26,27,30)