1-cyano-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide

Systemtic Name: 1-cyano-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide Openeye Name: 1-cyano-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)cyclopropanecarboxamide CAS Name: 1-cyano-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-1-cyclopropanecarboxamide IUPAC Name: 1-cyano-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide Traditional Name: 1-cyano-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]cyclopropanecarboxamide Formula: C19H19N3OS2 MolecularWeight: 369.50366

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3(CC3)C#N

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3(CC3)C#N

InChI

InChI=1S/C19H19N3OS2/c1-2-3-4-5-6-11-24-18-22-15-8-7-14(12-16(15)25-18)21-17(23)19(13-20)9-10-19/h7-8,12H,2-3,6,9-11H2,1H3,(H,21,23)