5-(4-iodanyl-3-methoxy-cyclohexa-1,4,5-trien-1-yl)sulfanyl-3-(prop-2-enylamino)pyridine-2-carboxamide

Systemtic Name: 5-(4-iodanyl-3-methoxy-cyclohexa-1,4,5-trien-1-yl)sulfanyl-3-(prop-2-enylamino)pyridine-2-carboxamide Openeye Name: 3-(allylamino)-5-(4-iodo-3-methoxy-cyclohexa-1,4,5-trien-1-yl)sulfanyl-pyridine-2-carboxamide CAS Name: 5-[(4-iodo-3-methoxy-1-cyclohexa-1,4,5-trienyl)thio]-3-(prop-2-enylamino)-2-pyridinecarboxamide IUPAC Name: 5-(4-iodo-3-methoxycyclohexa-1,4,5-trien-1-yl)sulfanyl-3-(prop-2-enylamino)pyridine-2-carboxamide Traditional Name: 3-(allylamino)-5-[(4-iodo-3-methoxy-cyclohexa-1,4,5-trien-1-yl)thio]picolinamide Formula: C16H16IN3O2S MolecularWeight: 441.28661

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Descriptors Computed from Structure

Canonical SMILES:

COC1C=C(C=C=C1I)SC2=CN=C(C(=C2)NCC=C)C(=O)N

Isomeric SMILES

COC1C=C(C=C=C1I)SC2=CN=C(C(=C2)NCC=C)C(=O)N

InChI

InChI=1S/C16H16IN3O2S/c1-3-6-19-13-7-11(9-20-15(13)16(18)21)23-10-4-5-12(17)14(8-10)22-2/h3-4,7-9,14,19H,1,6H2,2H3,(H2,18,21)