2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4-hydroxy-3-iodo-5-methoxy-phenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(4-hydroxy-3-iodo-5-methoxyphenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4-hydroxy-3-iodo-5-methoxyphenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(4-hydroxy-3-iodo-5-methoxy-phenyl)acrylonitrile Formula: C17H11IN2O2S2 MolecularWeight: 466.31591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)I)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)I)O

InChI

InChI=1S/C17H11IN2O2S2/c1-22-14-8-10(7-12(18)16(14)21)6-11(9-19)23-17-20-13-4-2-3-5-15(13)24-17/h2-8,21H,1H3