2-(1,3-benzothiazol-2-ylsulfanyl)-3-(6-bromanyl-1,3-benzodioxol-5-yl)prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(6-bromanyl-1,3-benzodioxol-5-yl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(6-bromo-1,3-benzodioxol-5-yl)acrylonitrile Formula: C17H9BrN2O2S2 MolecularWeight: 417.29956

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=C(C#N)SC3=NC4=CC=CC=C4S3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C=C(C#N)SC3=NC4=CC=CC=C4S3)Br

InChI

InChI=1S/C17H9BrN2O2S2/c18-12-7-15-14(21-9-22-15)6-10(12)5-11(8-19)23-17-20-13-3-1-2-4-16(13)24-17/h1-7H,9H2