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

Systemtic Name: 2-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[(E)-piperonylideneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C17H14N2O2S MolecularWeight: 310.37026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N=CC3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O2S/c18-8-13-12-3-1-2-4-16(12)22-17(13)19-9-11-5-6-14-15(7-11)21-10-20-14/h5-7,9H,1-4,10H2/b19-9+