2-(1,3-dithiepan-2-ylidene)-2-(1H-imidazo[4,5-b]pyridin-2-yl)ethanenitrile

Systemtic Name: 2-(1,3-dithiepan-2-ylidene)-2-(1H-imidazo[4,5-b]pyridin-2-yl)ethanenitrile Openeye Name: 2-(1,3-dithiepan-2-ylidene)-2-(1H-imidazo[4,5-b]pyridin-2-yl)acetonitrile CAS Name: 2-(1,3-dithiepan-2-ylidene)-2-(1H-imidazo[4,5-b]pyridin-2-yl)acetonitrile IUPAC Name: 2-(1,3-dithiepan-2-ylidene)-2-(1H-imidazo[4,5-b]pyridin-2-yl)acetonitrile Traditional Name: 2-(1,3-dithiepan-2-ylidene)-2-(1H-imidazo[4,5-b]pyridin-2-yl)acetonitrile Formula: C13H12N4S2 MolecularWeight: 288.39118

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Descriptors Computed from Structure

Canonical SMILES:

C1CCSC(=C(C#N)C2=NC3=C(N2)C=CC=N3)SC1

Isomeric SMILES

C1CCSC(=C(C#N)C2=NC3=C(N2)C=CC=N3)SC1

InChI

InChI=1S/C13H12N4S2/c14-8-9(13-18-6-1-2-7-19-13)11-16-10-4-3-5-15-12(10)17-11/h3-5H,1-2,6-7H2,(H,15,16,17)