2-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C17H13BrN2O2S MolecularWeight: 389.26632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N=CC3=CC4=C(C=C3Br)OCO4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)/N=C/C3=CC4=C(C=C3Br)OCO4)C#N

InChI

InChI=1S/C17H13BrN2O2S/c18-13-6-15-14(21-9-22-15)5-10(13)8-20-17-12(7-19)11-3-1-2-4-16(11)23-17/h5-6,8H,1-4,9H2/b20-8+