(Z)-2-(6-bromanyl-1,3-benzodioxol-5-yl)-3-methylsulfanyl-3-phenylazanyl-prop-2-enenitrile

Systemtic Name: (Z)-2-(6-bromanyl-1,3-benzodioxol-5-yl)-3-methylsulfanyl-3-phenylazanyl-prop-2-enenitrile Openeye Name: (Z)-3-anilino-2-(6-bromo-1,3-benzodioxol-5-yl)-3-methylsulfanyl-prop-2-enenitrile CAS Name: (Z)-3-anilino-2-(6-bromo-1,3-benzodioxol-5-yl)-3-(methylthio)-2-propenenitrile IUPAC Name: (Z)-3-anilino-2-(6-bromo-1,3-benzodioxol-5-yl)-3-methylsulfanylprop-2-enenitrile Traditional Name: (Z)-3-anilino-2-(6-bromo-1,3-benzodioxol-5-yl)-3-(methylthio)acrylonitrile Formula: C17H13BrN2O2S MolecularWeight: 389.26632

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C#N)C1=CC2=C(C=C1Br)OCO2)NC3=CC=CC=C3

Isomeric SMILES

CS/C(=C(\C#N)/C1=CC2=C(C=C1Br)OCO2)/NC3=CC=CC=C3

InChI

InChI=1S/C17H13BrN2O2S/c1-23-17(20-11-5-3-2-4-6-11)13(9-19)12-7-15-16(8-14(12)18)22-10-21-15/h2-8,20H,10H2,1H3/b17-13+