N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-1,5-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-1,5-dimethyl-pyrazole-3-carboxamide Openeye Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-1,5-dimethyl-pyrazole-3-carboxamide CAS Name: N-[2-[(2-methoxyphenyl)methylthio]-1,3-benzothiazol-6-yl]-1,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-1,5-dimethylpyrazole-3-carboxamide Traditional Name: 1,5-dimethyl-N-[2-(o-anisylthio)-1,3-benzothiazol-6-yl]pyrazole-3-carboxamide Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=C4OC

Isomeric SMILES

CC1=CC(=NN1C)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=C4OC

InChI

InChI=1S/C21H20N4O2S2/c1-13-10-17(24-25(13)2)20(26)22-15-8-9-16-19(11-15)29-21(23-16)28-12-14-6-4-5-7-18(14)27-3/h4-11H,12H2,1-3H3,(H,22,26)