N-[(1R,3S)-1-(2-chlorophenyl)sulfanyl-1-phenyl-hex-5-en-3-yl]-4-methoxy-aniline

Systemtic Name: N-[(1R,3S)-1-(2-chlorophenyl)sulfanyl-1-phenyl-hex-5-en-3-yl]-4-methoxy-aniline Openeye Name: N-[(1S)-1-[(2R)-2-(2-chlorophenyl)sulfanyl-2-phenyl-ethyl]but-3-enyl]-4-methoxy-aniline CAS Name: N-[(1R,3S)-1-[(2-chlorophenyl)thio]-1-phenylhex-5-en-3-yl]-4-methoxyaniline IUPAC Name: N-[(1R,3S)-1-(2-chlorophenyl)sulfanyl-1-phenylhex-5-en-3-yl]-4-methoxyaniline Traditional Name: [(1S)-1-[(2R)-2-[(2-chlorophenyl)thio]-2-phenyl-ethyl]but-3-enyl]-(4-methoxyphenyl)amine Formula: C25H26ClNOS MolecularWeight: 423.99804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(CC=C)CC(C2=CC=CC=C2)SC3=CC=CC=C3Cl

Isomeric SMILES

COC1=CC=C(C=C1)N[C@@H](CC=C)C[C@H](C2=CC=CC=C2)SC3=CC=CC=C3Cl

InChI

InChI=1S/C25H26ClNOS/c1-3-9-21(27-20-14-16-22(28-2)17-15-20)18-25(19-10-5-4-6-11-19)29-24-13-8-7-12-23(24)26/h3-8,10-17,21,25,27H,1,9,18H2,2H3/t21-,25+/m0/s1