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

Systemtic Name: 2-[(E)-(3-bromophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(E)-(3-bromophenyl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[(E)-(3-bromophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(E)-(3-bromophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[(E)-(3-bromobenzylidene)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C16H13BrN2S MolecularWeight: 345.25682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN2S/c17-12-5-3-4-11(8-12)10-19-16-14(9-18)13-6-1-2-7-15(13)20-16/h3-5,8,10H,1-2,6-7H2/b19-10+