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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(4-hydroxy-3-methoxyphenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(4-hydroxy-3-methoxy-phenyl)acrylonitrile Formula: C17H12N2O2S2 MolecularWeight: 340.41938

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)O

Isomeric SMILES

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

InChI

InChI=1S/C17H12N2O2S2/c1-21-15-9-11(6-7-14(15)20)8-12(10-18)22-17-19-13-4-2-3-5-16(13)23-17/h2-9,20H,1H3