1-[3-butylsulfanyl-4-(phenylmethyl)phenyl]but-3-en-2-amine

Systemtic Name: 1-[3-butylsulfanyl-4-(phenylmethyl)phenyl]but-3-en-2-amine Openeye Name: 1-(4-benzyl-3-butylsulfanyl-phenyl)but-3-en-2-amine CAS Name: 1-[3-(butylthio)-4-(phenylmethyl)phenyl]-3-buten-2-amine IUPAC Name: 1-(4-benzyl-3-butylsulfanylphenyl)but-3-en-2-amine Traditional Name: 1-[4-benzyl-3-(butylthio)benzyl]allylamine Formula: C21H27NS MolecularWeight: 325.51078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=CC(=C1)CC(C=C)N)CC2=CC=CC=C2

Isomeric SMILES

CCCCSC1=C(C=CC(=C1)CC(C=C)N)CC2=CC=CC=C2

InChI

InChI=1S/C21H27NS/c1-3-5-13-23-21-16-18(15-20(22)4-2)11-12-19(21)14-17-9-7-6-8-10-17/h4,6-12,16,20H,2-3,5,13-15,22H2,1H3