2-(1,3-benzothiazol-2-yl)-3-[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-3-oxidanylidene-propanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-[5-(1,3-benzothiazol-2-yl)-2-thienyl]-3-oxo-propanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-[5-(1,3-benzothiazol-2-yl)-2-thiophenyl]-3-oxopropanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-3-oxopropanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-[5-(1,3-benzothiazol-2-yl)-2-thienyl]-3-keto-propionitrile Formula: C21H11N3OS3 MolecularWeight: 417.52654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(S3)C(=O)C(C#N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(S3)C(=O)C(C#N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H11N3OS3/c22-11-12(20-23-13-5-1-3-7-15(13)27-20)19(25)17-9-10-18(26-17)21-24-14-6-2-4-8-16(14)28-21/h1-10,12H