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

Systemtic Name: 3-(3-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide Openeye Name: 3-(3-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4,5-dihydroisoxazole-5-carboxamide CAS Name: 3-(3-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,5-dihydroisoxazole-5-carboxamide IUPAC Name: 3-(3-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide Traditional Name: 3-(3-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-isoxazoline-5-carboxamide Formula: C19H16BrN3O2S MolecularWeight: 430.31824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3CC(=NO3)C4=CC(=CC=C4)Br)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3CC(=NO3)C4=CC(=CC=C4)Br)C#N

InChI

InChI=1S/C19H16BrN3O2S/c20-12-5-3-4-11(8-12)15-9-16(25-23-15)18(24)22-19-14(10-21)13-6-1-2-7-17(13)26-19/h3-5,8,16H,1-2,6-7,9H2,(H,22,24)