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

Systemtic Name: 2-[(E)-(3-iodanyl-4,5-dimethoxy-phenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(E)-(3-iodo-4,5-dimethoxy-phenyl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[(E)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(E)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[(E)-(3-iodo-4,5-dimethoxy-benzylidene)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C18H17IN2O2S MolecularWeight: 452.30925

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NC2=C(C3=C(S2)CCCC3)C#N)I)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/C2=C(C3=C(S2)CCCC3)C#N)I)OC

InChI

InChI=1S/C18H17IN2O2S/c1-22-15-8-11(7-14(19)17(15)23-2)10-21-18-13(9-20)12-5-3-4-6-16(12)24-18/h7-8,10H,3-6H2,1-2H3/b21-10+