2-[(6-iodanyl-1,3-benzodioxol-5-yl)sulfanyl]-1-pent-4-ynyl-imidazo[4,5-c]pyridin-4-amine

Systemtic Name: 2-[(6-iodanyl-1,3-benzodioxol-5-yl)sulfanyl]-1-pent-4-ynyl-imidazo[4,5-c]pyridin-4-amine Openeye Name: 2-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-1-pent-4-ynyl-imidazo[4,5-c]pyridin-4-amine CAS Name: 2-[(6-iodo-1,3-benzodioxol-5-yl)thio]-1-pent-4-ynyl-4-imidazo[4,5-c]pyridinamine IUPAC Name: 2-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-1-pent-4-ynylimidazo[4,5-c]pyridin-4-amine Traditional Name: [2-[(6-iodo-1,3-benzodioxol-5-yl)thio]-1-pent-4-ynyl-imidazo[4,5-c]pyridin-4-yl]amine Formula: C18H15IN4O2S MolecularWeight: 478.30677

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCN1C2=C(C(=NC=C2)N)N=C1SC3=C(C=C4C(=C3)OCO4)I

Isomeric SMILES

C#CCCCN1C2=C(C(=NC=C2)N)N=C1SC3=C(C=C4C(=C3)OCO4)I

InChI

InChI=1S/C18H15IN4O2S/c1-2-3-4-7-23-12-5-6-21-17(20)16(12)22-18(23)26-15-9-14-13(8-11(15)19)24-10-25-14/h1,5-6,8-9H,3-4,7,10H2,(H2,20,21)