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

Systemtic Name: 3-cyano-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)benzamide Openeye Name: 3-cyano-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)benzamide CAS Name: 3-cyano-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3-cyano-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)benzamide Traditional Name: 3-cyano-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C22H19N3OS2 MolecularWeight: 405.53576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3OS2/c1-2-3-4-5-6-12-27-22-25-19-11-10-18(14-20(19)28-22)24-21(26)17-9-7-8-16(13-17)15-23/h7-11,13-14H,2-3,6,12H2,1H3,(H,24,26)