3-benzo[e][1,3]benzothiazol-2-ylsulfanylbutanenitrile

Systemtic Name: 3-benzo[e][1,3]benzothiazol-2-ylsulfanylbutanenitrile Openeye Name: 3-benzo[e][1,3]benzothiazol-2-ylsulfanylbutanenitrile CAS Name: 3-(2-benzo[e][1,3]benzothiazolylthio)butanenitrile IUPAC Name: 3-benzo[e][1,3]benzothiazol-2-ylsulfanylbutanenitrile Traditional Name: 3-(benzo[e][1,3]benzothiazol-2-ylthio)butyronitrile Formula: C15H12N2S2 MolecularWeight: 284.39918

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC#N)SC1=NC2=C(S1)C=CC3=CC=CC=C32

Isomeric SMILES

CC(CC#N)SC1=NC2=C(S1)C=CC3=CC=CC=C32

InChI

InChI=1S/C15H12N2S2/c1-10(8-9-16)18-15-17-14-12-5-3-2-4-11(12)6-7-13(14)19-15/h2-7,10H,8H2,1H3