N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)cinnoline-4-carboxamide

Systemtic Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)cinnoline-4-carboxamide Openeye Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)cinnoline-4-carboxamide CAS Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-4-cinnolinecarboxamide IUPAC Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)cinnoline-4-carboxamide Traditional Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]cinnoline-4-carboxamide Formula: C23H20N4OS2 MolecularWeight: 432.5611

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CN=NC4=CC=CC=C43

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CN=NC4=CC=CC=C43

InChI

InChI=1S/C23H20N4OS2/c1-2-3-4-5-8-13-29-23-26-20-12-11-16(14-21(20)30-23)25-22(28)18-15-24-27-19-10-7-6-9-17(18)19/h6-7,9-12,14-15H,2-3,8,13H2,1H3,(H,25,28)