2-(1,3-benzothiazol-2-yl)-2-(4,5-diphenyl-1,3-dithiol-2-ylidene)ethanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-(4,5-diphenyl-1,3-dithiol-2-ylidene)ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-(4,5-diphenyl-1,3-dithiol-2-ylidene)acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-(4,5-diphenyl-1,3-dithiol-2-ylidene)acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-(4,5-diphenyl-1,3-dithiol-2-ylidene)acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-(4,5-diphenyl-1,3-dithiol-2-ylidene)acetonitrile Formula: C24H14N2S3 MolecularWeight: 426.57636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(SC(=C(C#N)C3=NC4=CC=CC=C4S3)S2)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(SC(=C(C#N)C3=NC4=CC=CC=C4S3)S2)C5=CC=CC=C5

InChI

InChI=1S/C24H14N2S3/c25-15-18(23-26-19-13-7-8-14-20(19)27-23)24-28-21(16-9-3-1-4-10-16)22(29-24)17-11-5-2-6-12-17/h1-14H