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

Systemtic Name: 2-[(E)-(2,4-dimethoxy-5-nitro-phenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(E)-(2,4-dimethoxy-5-nitro-phenyl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[(E)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(E)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[(E)-(2,4-dimethoxy-5-nitro-benzylidene)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=NC2=C(C3=C(S2)CCCC3)C#N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1/C=N/C2=C(C3=C(S2)CCCC3)C#N)[N+](=O)[O-])OC

InChI

InChI=1S/C18H17N3O4S/c1-24-15-8-16(25-2)14(21(22)23)7-11(15)10-20-18-13(9-19)12-5-3-4-6-17(12)26-18/h7-8,10H,3-6H2,1-2H3/b20-10+