3-chloranyl-4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-chloro-4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]benzonitrile CAS Name: 3-chloro-4-[[(6-ethoxy-1,3-benzothiazol-2-yl)thio]methyl]benzonitrile IUPAC Name: 3-chloro-4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-chloro-4-[[(6-ethoxy-1,3-benzothiazol-2-yl)thio]methyl]benzonitrile Formula: C17H13ClN2OS2 MolecularWeight: 360.88092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC3=C(C=C(C=C3)C#N)Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC3=C(C=C(C=C3)C#N)Cl

InChI

InChI=1S/C17H13ClN2OS2/c1-2-21-13-5-6-15-16(8-13)23-17(20-15)22-10-12-4-3-11(9-19)7-14(12)18/h3-8H,2,10H2,1H3