2-(2-phenylpyrrolo[2,1-b][1,3]benzothiazol-3-yl)butanedinitrile

Systemtic Name: 2-(2-phenylpyrrolo[2,1-b][1,3]benzothiazol-3-yl)butanedinitrile Openeye Name: 2-(2-phenylpyrrolo[2,1-b][1,3]benzothiazol-3-yl)butanedinitrile CAS Name: 2-(2-phenyl-3-pyrrolo[2,1-b][1,3]benzothiazolyl)butanedinitrile IUPAC Name: 2-(2-phenylpyrrolo[2,1-b][1,3]benzothiazol-3-yl)butanedinitrile Traditional Name: 2-(2-phenylpyrrolo[2,1-b][1,3]benzothiazol-3-yl)succinonitrile Formula: C20H13N3S MolecularWeight: 327.40232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN3C4=CC=CC=C4SC3=C2C(CC#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CN3C4=CC=CC=C4SC3=C2C(CC#N)C#N

InChI

InChI=1S/C20H13N3S/c21-11-10-15(12-22)19-16(14-6-2-1-3-7-14)13-23-17-8-4-5-9-18(17)24-20(19)23/h1-9,13,15H,10H2