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

Systemtic Name: 2-[(E)-(5-bromanyl-2-phenylmethoxy-phenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(E)-(2-benzyloxy-5-bromo-phenyl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[(E)-(2-benzoxy-5-bromo-benzylidene)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C23H19BrN2OS MolecularWeight: 451.37876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N=CC3=C(C=CC(=C3)Br)OCC4=CC=CC=C4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)/N=C/C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4)C#N

InChI

InChI=1S/C23H19BrN2OS/c24-18-10-11-21(27-15-16-6-2-1-3-7-16)17(12-18)14-26-23-20(13-25)19-8-4-5-9-22(19)28-23/h1-3,6-7,10-12,14H,4-5,8-9,15H2/b26-14+