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

Systemtic Name: 5-methyl-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1H-pyrazole-3-carboxamide Openeye Name: 5-methyl-N-[2-(3-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1H-pyrazole-3-carboxamide CAS Name: 5-methyl-N-[2-(3-pyridinylmethylthio)-1,3-benzothiazol-6-yl]-1H-pyrazole-3-carboxamide IUPAC Name: 5-methyl-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1H-pyrazole-3-carboxamide Traditional Name: 5-methyl-N-[2-(3-pyridylmethylthio)-1,3-benzothiazol-6-yl]-1H-pyrazole-3-carboxamide Formula: C18H15N5OS2 MolecularWeight: 381.4746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4

Isomeric SMILES

CC1=CC(=NN1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4

InChI

InChI=1S/C18H15N5OS2/c1-11-7-15(23-22-11)17(24)20-13-4-5-14-16(8-13)26-18(21-14)25-10-12-3-2-6-19-9-12/h2-9H,10H2,1H3,(H,20,24)(H,22,23)