(Z)-2-(6-bromanyl-1,3-benzodioxol-5-yl)-3-[methyl(phenyl)amino]-3-methylsulfanyl-prop-2-enenitrile

Systemtic Name: (Z)-2-(6-bromanyl-1,3-benzodioxol-5-yl)-3-[methyl(phenyl)amino]-3-methylsulfanyl-prop-2-enenitrile Openeye Name: (Z)-2-(6-bromo-1,3-benzodioxol-5-yl)-3-(N-methylanilino)-3-methylsulfanyl-prop-2-enenitrile CAS Name: (Z)-2-(6-bromo-1,3-benzodioxol-5-yl)-3-(N-methylanilino)-3-(methylthio)-2-propenenitrile IUPAC Name: (Z)-2-(6-bromo-1,3-benzodioxol-5-yl)-3-(N-methylanilino)-3-methylsulfanylprop-2-enenitrile Traditional Name: (Z)-2-(6-bromo-1,3-benzodioxol-5-yl)-3-(N-methylanilino)-3-(methylthio)acrylonitrile Formula: C18H15BrN2O2S MolecularWeight: 403.2929

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=C(C#N)C2=CC3=C(C=C2Br)OCO3)SC

Isomeric SMILES

CN(C1=CC=CC=C1)/C(=C(/C#N)\C2=CC3=C(C=C2Br)OCO3)/SC

InChI

InChI=1S/C18H15BrN2O2S/c1-21(12-6-4-3-5-7-12)18(24-2)14(10-20)13-8-16-17(9-15(13)19)23-11-22-16/h3-9H,11H2,1-2H3/b18-14+