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

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(1-pyrazolylmethyl)-3-pyrazolecarboxamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide Formula: C22H18N6OS MolecularWeight: 414.48292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=NN(C=C4)CN5C=CC=N5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=NN(C=C4)CN5C=CC=N5

InChI

InChI=1S/C22H18N6OS/c1-15-3-8-18-20(13-15)30-22(25-18)16-4-6-17(7-5-16)24-21(29)19-9-12-28(26-19)14-27-11-2-10-23-27/h2-13H,14H2,1H3,(H,24,29)