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

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(6-bromanyl-1,3-benzodioxol-5-yl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(6-bromo-1,3-benzodioxol-5-yl)acrylonitrile Formula: C17H9BrN2O2S MolecularWeight: 385.23456

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=C(C#N)C3=NC4=CC=CC=C4S3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C(\C#N)/C3=NC4=CC=CC=C4S3)Br

InChI

InChI=1S/C17H9BrN2O2S/c18-12-7-15-14(21-9-22-15)6-10(12)5-11(8-19)17-20-13-3-1-2-4-16(13)23-17/h1-7H,9H2/b11-5+