N-(2-bromophenyl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide

Systemtic Name: N-(2-bromophenyl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide Openeye Name: N-(2-bromophenyl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide CAS Name: N-(2-bromophenyl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]propanamide IUPAC Name: N-(2-bromophenyl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide Traditional Name: N-(2-bromophenyl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]propionamide Formula: C19H18BrN3OS MolecularWeight: 416.33472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1Br)SC2=NC3=C(CCCC3)C=C2C#N

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1Br)SC2=NC3=C(CCCC3)C=C2C#N

InChI

InChI=1S/C19H18BrN3OS/c1-12(18(24)22-17-9-5-3-7-15(17)20)25-19-14(11-21)10-13-6-2-4-8-16(13)23-19/h3,5,7,9-10,12H,2,4,6,8H2,1H3,(H,22,24)