5-(4-bromophenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide

Systemtic Name: 5-(4-bromophenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-furamide Formula: C21H17BrN2O2S MolecularWeight: 441.34088

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H17BrN2O2S/c1-12-2-7-15-16(11-23)21(27-19(15)10-12)24-20(25)18-9-8-17(26-18)13-3-5-14(22)6-4-13/h3-6,8-9,12H,2,7,10H2,1H3,(H,24,25)