2,2-bis(1,3-benzothiazol-2-yl)ethanenitrile

Systemtic Name: 2,2-bis(1,3-benzothiazol-2-yl)ethanenitrile Openeye Name: 2,2-bis(1,3-benzothiazol-2-yl)acetonitrile CAS Name: 2,2-bis(1,3-benzothiazol-2-yl)acetonitrile IUPAC Name: 2,2-bis(1,3-benzothiazol-2-yl)acetonitrile Traditional Name: 2,2-bis(1,3-benzothiazol-2-yl)acetonitrile Formula: C16H9N3S2 MolecularWeight: 307.39276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C16H9N3S2/c17-9-10(15-18-11-5-1-3-7-13(11)20-15)16-19-12-6-2-4-8-14(12)21-16/h1-8,10H