N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-2-(2-pyridylthio)acetamide Formula: C21H21N3OS3 MolecularWeight: 427.60594

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSC3=CC=CC=N3

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C21H21N3OS3/c1-2-3-4-5-8-13-26-21-24-17-11-10-16(14-18(17)28-21)23-19(25)15-27-20-9-6-7-12-22-20/h6-7,9-12,14H,2-3,8,13,15H2,1H3,(H,23,25)