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

Systemtic Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-5-methyl-1H-pyrazole-3-carboxamide Openeye Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-5-methyl-1H-pyrazole-3-carboxamide CAS Name: N-[2-[(2-methoxyphenyl)methylthio]-1,3-benzothiazol-6-yl]-5-methyl-1H-pyrazole-3-carboxamide IUPAC Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-5-methyl-1H-pyrazole-3-carboxamide Traditional Name: 5-methyl-N-[2-(o-anisylthio)-1,3-benzothiazol-6-yl]-1H-pyrazole-3-carboxamide Formula: C20H18N4O2S2 MolecularWeight: 410.51252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=C4OC

Isomeric SMILES

CC1=CC(=NN1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=C4OC

InChI

InChI=1S/C20H18N4O2S2/c1-12-9-16(24-23-12)19(25)21-14-7-8-15-18(10-14)28-20(22-15)27-11-13-5-3-4-6-17(13)26-2/h3-10H,11H2,1-2H3,(H,21,25)(H,23,24)