2-(3-bromophenyl)-3-oxidanylidene-3-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanenitrile

Systemtic Name: 2-(3-bromophenyl)-3-oxidanylidene-3-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanenitrile Openeye Name: 2-(3-bromophenyl)-3-oxo-3-(4,5,6,7-tetrahydrobenzothiophen-2-yl)propanenitrile CAS Name: 2-(3-bromophenyl)-3-oxo-3-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanenitrile IUPAC Name: 2-(3-bromophenyl)-3-oxo-3-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanenitrile Traditional Name: 2-(3-bromophenyl)-3-keto-3-(4,5,6,7-tetrahydrobenzothiophen-2-yl)propionitrile Formula: C17H14BrNOS MolecularWeight: 360.26816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrNOS/c18-13-6-3-5-11(8-13)14(10-19)17(20)16-9-12-4-1-2-7-15(12)21-16/h3,5-6,8-9,14H,1-2,4,7H2