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

Systemtic Name: 5-(4-iodanyl-3-methoxy-cyclohexa-1,4,5-trien-1-yl)sulfanyl-3-(prop-2-enylamino)pyridine-2-carbonitrile Openeye Name: 3-(allylamino)-5-(4-iodo-3-methoxy-cyclohexa-1,4,5-trien-1-yl)sulfanyl-pyridine-2-carbonitrile CAS Name: 5-[(4-iodo-3-methoxy-1-cyclohexa-1,4,5-trienyl)thio]-3-(prop-2-enylamino)-2-pyridinecarbonitrile IUPAC Name: 5-(4-iodo-3-methoxycyclohexa-1,4,5-trien-1-yl)sulfanyl-3-(prop-2-enylamino)pyridine-2-carbonitrile Traditional Name: 3-(allylamino)-5-[(4-iodo-3-methoxy-cyclohexa-1,4,5-trien-1-yl)thio]picolinonitrile Formula: C16H14IN3OS MolecularWeight: 423.27133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14IN3OS/c1-3-6-19-14-7-12(10-20-15(14)9-18)22-11-4-5-13(17)16(8-11)21-2/h3-4,7-8,10,16,19H,1,6H2,2H3