2-[4-(1,3-benzothiazol-2-ylsulfonylmethyl)phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylsulfonylmethyl)phenyl]benzenecarbonitrile Openeye Name: 2-[4-(1,3-benzothiazol-2-ylsulfonylmethyl)phenyl]benzonitrile CAS Name: 2-[4-(1,3-benzothiazol-2-ylsulfonylmethyl)phenyl]benzonitrile IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylsulfonylmethyl)phenyl]benzonitrile Traditional Name: 2-[4-(1,3-benzothiazol-2-ylsulfonylmethyl)phenyl]benzonitrile Formula: C21H14N2O2S2 MolecularWeight: 390.47806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CS(=O)(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CS(=O)(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H14N2O2S2/c22-13-17-5-1-2-6-18(17)16-11-9-15(10-12-16)14-27(24,25)21-23-19-7-3-4-8-20(19)26-21/h1-12H,14H2