2-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(4-benzyloxy-3-bromo-5-methoxy-phenyl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[(4-benzoxy-3-bromo-5-methoxy-benzylidene)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C24H21BrN2O2S MolecularWeight: 481.40474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NC2=C(C3=C(S2)CCCC3)C#N)Br)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC(=C1)C=NC2=C(C3=C(S2)CCCC3)C#N)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C24H21BrN2O2S/c1-28-21-12-17(11-20(25)23(21)29-15-16-7-3-2-4-8-16)14-27-24-19(13-26)18-9-5-6-10-22(18)30-24/h2-4,7-8,11-12,14H,5-6,9-10,15H2,1H3