5-[4-azanyl-2-[(6-bromanyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]pentanenitrile

Systemtic Name: 5-[4-azanyl-2-[(6-bromanyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]pentanenitrile Openeye Name: 5-[4-amino-2-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]pentanenitrile CAS Name: 5-[4-amino-2-[(6-bromo-1,3-benzodioxol-5-yl)thio]-1-imidazo[4,5-c]pyridinyl]pentanenitrile IUPAC Name: 5-[4-amino-2-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]pentanenitrile Traditional Name: 5-[4-amino-2-[(6-bromo-1,3-benzodioxol-5-yl)thio]imidazo[4,5-c]pyridin-1-yl]valeronitrile Formula: C18H16BrN5O2S MolecularWeight: 446.32094

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC(=C(C=C2O1)Br)SC3=NC4=C(N3CCCCC#N)C=CN=C4N

Isomeric SMILES

C1OC2=CC(=C(C=C2O1)Br)SC3=NC4=C(N3CCCCC#N)C=CN=C4N

InChI

InChI=1S/C18H16BrN5O2S/c19-11-8-13-14(26-10-25-13)9-15(11)27-18-23-16-12(4-6-22-17(16)21)24(18)7-3-1-2-5-20/h4,6,8-9H,1-3,7,10H2,(H2,21,22)