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

Systemtic Name: [4-[(4-bromanylcyclohexa-1,3-dien-1-yl)amino]-2-chloranyl-phenyl]-(4-butyl-2-methyl-phenyl)methanethione Openeye Name: [4-[(4-bromocyclohexa-1,3-dien-1-yl)amino]-2-chloro-phenyl]-(4-butyl-2-methyl-phenyl)methanethione CAS Name: [4-[(4-bromo-1-cyclohexa-1,3-dienyl)amino]-2-chlorophenyl]-(4-butyl-2-methylphenyl)methanethione IUPAC Name: [4-[(4-bromocyclohexa-1,3-dien-1-yl)amino]-2-chlorophenyl]-(4-butyl-2-methylphenyl)methanethione Traditional Name: [4-[(4-bromocyclohexa-1,3-dien-1-yl)amino]-2-chloro-phenyl]-(4-butyl-2-methyl-phenyl)methanethione Formula: C24H25BrClNS MolecularWeight: 474.884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)C(=S)C2=C(C=C(C=C2)NC3=CC=C(CC3)Br)Cl)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)C(=S)C2=C(C=C(C=C2)NC3=CC=C(CC3)Br)Cl)C

InChI

InChI=1S/C24H25BrClNS/c1-3-4-5-17-6-12-21(16(2)14-17)24(28)22-13-11-20(15-23(22)26)27-19-9-7-18(25)8-10-19/h6-7,9,11-15,27H,3-5,8,10H2,1-2H3