6-(pyridin-3-ylmethylsulfanyl)-11H-pyrido[2,3-b][1,4]benzodiazepine

Systemtic Name: 6-(pyridin-3-ylmethylsulfanyl)-11H-pyrido[2,3-b][1,4]benzodiazepine Openeye Name: 6-(3-pyridylmethylsulfanyl)-11H-pyrido[2,3-b][1,4]benzodiazepine CAS Name: 6-(3-pyridinylmethylthio)-11H-pyrido[2,3-b][1,4]benzodiazepine IUPAC Name: 6-(pyridin-3-ylmethylsulfanyl)-11H-pyrido[2,3-b][1,4]benzodiazepine Traditional Name: 6-(3-pyridylmethylthio)-11H-pyrido[2,3-b][1,4]benzodiazepine Formula: C18H14N4S MolecularWeight: 318.39556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC3=C(N2)N=CC=C3)SCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC3=C(N2)N=CC=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C18H14N4S/c1-2-7-15-14(6-1)18(23-12-13-5-3-9-19-11-13)22-16-8-4-10-20-17(16)21-15/h1-11H,12H2,(H,20,21)