2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanenitrile

Systemtic Name: 2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanenitrile Openeye Name: 2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)acetonitrile CAS Name: 2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylthio)acetonitrile IUPAC Name: 2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)acetonitrile Traditional Name: 2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylthio)acetonitrile Formula: C14H10N4S MolecularWeight: 266.321

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC3=C(N2)N=CC=C3)SCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC3=C(N2)N=CC=C3)SCC#N

InChI

InChI=1S/C14H10N4S/c15-7-9-19-14-10-4-1-2-5-11(10)17-13-12(18-14)6-3-8-16-13/h1-6,8H,9H2,(H,16,17)