(E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)prop-2-enenitrile Openeye Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]prop-2-enenitrile CAS Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-2-propenenitrile IUPAC Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)prop-2-enenitrile Traditional Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]acrylonitrile Formula: C16H8BrN3O3S MolecularWeight: 402.22202

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C=C(C#N)C3=NC(=NO3)C4=CC=CS4)Br

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)/C=C(\C#N)/C3=NC(=NO3)C4=CC=CS4)Br

InChI

InChI=1S/C16H8BrN3O3S/c17-11-5-9(6-12-14(11)22-8-21-12)4-10(7-18)16-19-15(20-23-16)13-2-1-3-24-13/h1-6H,8H2/b10-4+