4-octoxy-3-(phenylsulfanylmethyl)aniline

Systemtic Name: 4-octoxy-3-(phenylsulfanylmethyl)aniline Openeye Name: 4-octoxy-3-(phenylsulfanylmethyl)aniline CAS Name: 4-octoxy-3-[(phenylthio)methyl]aniline IUPAC Name: 4-octoxy-3-(phenylsulfanylmethyl)aniline Traditional Name: [4-octoxy-3-[(phenylthio)methyl]phenyl]amine Formula: C21H29NOS MolecularWeight: 343.52606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)N)CSC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)N)CSC2=CC=CC=C2

InChI

InChI=1S/C21H29NOS/c1-2-3-4-5-6-10-15-23-21-14-13-19(22)16-18(21)17-24-20-11-8-7-9-12-20/h7-9,11-14,16H,2-6,10,15,17,22H2,1H3