1-cyano-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]cyclopropane-1-carboxamide

Systemtic Name: 1-cyano-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]cyclopropane-1-carboxamide Openeye Name: 1-cyano-N-[2-(3-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]cyclopropanecarboxamide CAS Name: 1-cyano-N-[2-(3-pyridinylmethylthio)-1,3-benzothiazol-6-yl]-1-cyclopropanecarboxamide IUPAC Name: 1-cyano-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]cyclopropane-1-carboxamide Traditional Name: 1-cyano-N-[2-(3-pyridylmethylthio)-1,3-benzothiazol-6-yl]cyclopropanecarboxamide Formula: C18H14N4OS2 MolecularWeight: 366.45996

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C#N)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4

Isomeric SMILES

C1CC1(C#N)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4

InChI

InChI=1S/C18H14N4OS2/c19-11-18(5-6-18)16(23)21-13-3-4-14-15(8-13)25-17(22-14)24-10-12-2-1-7-20-9-12/h1-4,7-9H,5-6,10H2,(H,21,23)