[4-[(4-bromanylcyclohexa-1,3-dien-1-yl)amino]-2-chloranyl-phenyl]-(4-ethoxy-2-methyl-phenyl)methanethione

Systemtic Name: [4-[(4-bromanylcyclohexa-1,3-dien-1-yl)amino]-2-chloranyl-phenyl]-(4-ethoxy-2-methyl-phenyl)methanethione Openeye Name: [4-[(4-bromocyclohexa-1,3-dien-1-yl)amino]-2-chloro-phenyl]-(4-ethoxy-2-methyl-phenyl)methanethione CAS Name: [4-[(4-bromo-1-cyclohexa-1,3-dienyl)amino]-2-chlorophenyl]-(4-ethoxy-2-methylphenyl)methanethione IUPAC Name: [4-[(4-bromocyclohexa-1,3-dien-1-yl)amino]-2-chlorophenyl]-(4-ethoxy-2-methylphenyl)methanethione Traditional Name: [4-[(4-bromocyclohexa-1,3-dien-1-yl)amino]-2-chloro-phenyl]-(4-ethoxy-2-methyl-phenyl)methanethione Formula: C22H21BrClNOS MolecularWeight: 462.83024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C(=S)C2=C(C=C(C=C2)NC3=CC=C(CC3)Br)Cl)C

Isomeric SMILES

CCOC1=CC(=C(C=C1)C(=S)C2=C(C=C(C=C2)NC3=CC=C(CC3)Br)Cl)C

InChI

InChI=1S/C22H21BrClNOS/c1-3-26-18-9-11-19(14(2)12-18)22(27)20-10-8-17(13-21(20)24)25-16-6-4-15(23)5-7-16/h4,6,8-13,25H,3,5,7H2,1-2H3