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

Systemtic Name: 4-[4-azanyl-2-[(6-bromanyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]butanenitrile Openeye Name: 4-[4-amino-2-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]butanenitrile CAS Name: 4-[4-amino-2-[(6-bromo-1,3-benzodioxol-5-yl)thio]-1-imidazo[4,5-c]pyridinyl]butanenitrile IUPAC Name: 4-[4-amino-2-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]butanenitrile Traditional Name: 4-[4-amino-2-[(6-bromo-1,3-benzodioxol-5-yl)thio]imidazo[4,5-c]pyridin-1-yl]butyronitrile Formula: C17H14BrN5O2S MolecularWeight: 432.29436

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC(=C(C=C2O1)Br)SC3=NC4=C(N3CCCC#N)C=CN=C4N

Isomeric SMILES

C1OC2=CC(=C(C=C2O1)Br)SC3=NC4=C(N3CCCC#N)C=CN=C4N

InChI

InChI=1S/C17H14BrN5O2S/c18-10-7-12-13(25-9-24-12)8-14(10)26-17-22-15-11(3-5-21-16(15)20)23(17)6-2-1-4-19/h3,5,7-8H,1-2,6,9H2,(H2,20,21)