N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)hex-5-ynamide

Systemtic Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)hex-5-ynamide Openeye Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)hex-5-ynamide CAS Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-5-hexynamide IUPAC Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)hex-5-ynamide Traditional Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]hex-5-ynamide Formula: C20H22N2OS2 MolecularWeight: 370.53148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2OS2/c1-3-5-7-8-10-14-24-20-22-17-13-12-16(15-18(17)25-20)21-19(23)11-9-6-4-2/h2,12-13,15H,3,5-6,9-11,14H2,1H3,(H,21,23)