4-[4-(4-phenylsulfanylpiperidin-1-yl)but-1-ynyl]aniline

Systemtic Name: 4-[4-(4-phenylsulfanylpiperidin-1-yl)but-1-ynyl]aniline Openeye Name: 4-[4-(4-phenylsulfanyl-1-piperidyl)but-1-ynyl]aniline CAS Name: 4-[4-[4-(phenylthio)-1-piperidinyl]but-1-ynyl]aniline IUPAC Name: 4-[4-(4-phenylsulfanylpiperidin-1-yl)but-1-ynyl]aniline Traditional Name: [4-[4-[4-(phenylthio)piperidino]but-1-ynyl]phenyl]amine Formula: C21H24N2S MolecularWeight: 336.49366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1SC2=CC=CC=C2)CCC#CC3=CC=C(C=C3)N

Isomeric SMILES

C1CN(CCC1SC2=CC=CC=C2)CCC#CC3=CC=C(C=C3)N

InChI

InChI=1S/C21H24N2S/c22-19-11-9-18(10-12-19)6-4-5-15-23-16-13-21(14-17-23)24-20-7-2-1-3-8-20/h1-3,7-12,21H,5,13-17,22H2