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

Systemtic Name: 1,5-dimethyl-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]pyrazole-3-carboxamide Openeye Name: 1,5-dimethyl-N-[2-(3-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]pyrazole-3-carboxamide CAS Name: 1,5-dimethyl-N-[2-(3-pyridinylmethylthio)-1,3-benzothiazol-6-yl]-3-pyrazolecarboxamide IUPAC Name: 1,5-dimethyl-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]pyrazole-3-carboxamide Traditional Name: 1,5-dimethyl-N-[2-(3-pyridylmethylthio)-1,3-benzothiazol-6-yl]pyrazole-3-carboxamide Formula: C19H17N5OS2 MolecularWeight: 395.50118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4

Isomeric SMILES

CC1=CC(=NN1C)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4

InChI

InChI=1S/C19H17N5OS2/c1-12-8-16(23-24(12)2)18(25)21-14-5-6-15-17(9-14)27-19(22-15)26-11-13-4-3-7-20-10-13/h3-10H,11H2,1-2H3,(H,21,25)