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

Systemtic Name: 2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C17H13N3O4S MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)/N=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C#N

InChI

InChI=1S/C17H13N3O4S/c18-7-12-11-3-1-2-4-16(11)25-17(12)19-8-10-5-14-15(24-9-23-14)6-13(10)20(21)22/h5-6,8H,1-4,9H2/b19-8+