N-[(4-benzo[a]anthracen-7-ylphenyl)methyl]-2-(2-chloroethylsulfanyl)-N-ethyl-ethanamine

Systemtic Name: N-[(4-benzo[a]anthracen-7-ylphenyl)methyl]-2-(2-chloroethylsulfanyl)-N-ethyl-ethanamine Openeye Name: N-[(4-benzo[a]anthracen-7-ylphenyl)methyl]-2-(2-chloroethylsulfanyl)-N-ethyl-ethanamine CAS Name: N-[[4-(7-benzo[a]anthracenyl)phenyl]methyl]-2-(2-chloroethylthio)-N-ethylethanamine IUPAC Name: N-[(4-benzo[a]anthracen-7-ylphenyl)methyl]-2-(2-chloroethylsulfanyl)-N-ethylethanamine Traditional Name: (4-benz[a]anthracen-7-ylbenzyl)-[2-(2-chloroethylthio)ethyl]-ethyl-amine Formula: C31H30ClNS MolecularWeight: 484.0946

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCSCCCl)CC1=CC=C(C=C1)C2=C3C=CC4=CC=CC=C4C3=CC5=CC=CC=C52

Isomeric SMILES

CCN(CCSCCCl)CC1=CC=C(C=C1)C2=C3C=CC4=CC=CC=C4C3=CC5=CC=CC=C52

InChI

InChI=1S/C31H30ClNS/c1-2-33(18-20-34-19-17-32)22-23-11-13-25(14-12-23)31-28-10-6-4-8-26(28)21-30-27-9-5-3-7-24(27)15-16-29(30)31/h3-16,21H,2,17-20,22H2,1H3