4-[4-azanyl-2-(2-iodanyl-5-methoxy-phenyl)sulfanyl-imidazo[4,5-c]pyridin-1-yl]butanenitrile

Systemtic Name: 4-[4-azanyl-2-(2-iodanyl-5-methoxy-phenyl)sulfanyl-imidazo[4,5-c]pyridin-1-yl]butanenitrile Openeye Name: 4-[4-amino-2-(2-iodo-5-methoxy-phenyl)sulfanyl-imidazo[4,5-c]pyridin-1-yl]butanenitrile CAS Name: 4-[4-amino-2-[(2-iodo-5-methoxyphenyl)thio]-1-imidazo[4,5-c]pyridinyl]butanenitrile IUPAC Name: 4-[4-amino-2-(2-iodo-5-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-1-yl]butanenitrile Traditional Name: 4-[4-amino-2-[(2-iodo-5-methoxy-phenyl)thio]imidazo[4,5-c]pyridin-1-yl]butyronitrile Formula: C17H16IN5OS MolecularWeight: 465.31131

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCCC#N)C=CN=C3N

Isomeric SMILES

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCCC#N)C=CN=C3N

InChI

InChI=1S/C17H16IN5OS/c1-24-11-4-5-12(18)14(10-11)25-17-22-15-13(6-8-21-16(15)20)23(17)9-3-2-7-19/h4-6,8,10H,2-3,9H2,1H3,(H2,20,21)