4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]benzenecarbonitrile Openeye Name: 4-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]benzonitrile CAS Name: 4-[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]benzonitrile IUPAC Name: 4-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]benzonitrile Traditional Name: 4-[2-(1,3-benzothiazol-2-ylthio)acetyl]benzonitrile Formula: C16H10N2OS2 MolecularWeight: 310.3934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H10N2OS2/c17-9-11-5-7-12(8-6-11)14(19)10-20-16-18-13-3-1-2-4-15(13)21-16/h1-8H,10H2