4-(6-octylsulfanyl-1,3-benzothiazol-2-yl)benzenecarbonitrile

Systemtic Name: 4-(6-octylsulfanyl-1,3-benzothiazol-2-yl)benzenecarbonitrile Openeye Name: 4-(6-octylsulfanyl-1,3-benzothiazol-2-yl)benzonitrile CAS Name: 4-[6-(octylthio)-1,3-benzothiazol-2-yl]benzonitrile IUPAC Name: 4-(6-octylsulfanyl-1,3-benzothiazol-2-yl)benzonitrile Traditional Name: 4-[6-(octylthio)-1,3-benzothiazol-2-yl]benzonitrile Formula: C22H24N2S2 MolecularWeight: 380.56936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCSC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H24N2S2/c1-2-3-4-5-6-7-14-25-19-12-13-20-21(15-19)26-22(24-20)18-10-8-17(16-23)9-11-18/h8-13,15H,2-7,14H2,1H3