1-(1H-imidazol-2-ylsulfanyl)-4-(4-octylphenyl)butan-2-amine

Systemtic Name: 1-(1H-imidazol-2-ylsulfanyl)-4-(4-octylphenyl)butan-2-amine Openeye Name: 1-(1H-imidazol-2-ylsulfanyl)-4-(4-octylphenyl)butan-2-amine CAS Name: 1-(1H-imidazol-2-ylthio)-4-(4-octylphenyl)-2-butanamine IUPAC Name: 1-(1H-imidazol-2-ylsulfanyl)-4-(4-octylphenyl)butan-2-amine Traditional Name: [1-[(1H-imidazol-2-ylthio)methyl]-3-(4-octylphenyl)propyl]amine Formula: C21H33N3S MolecularWeight: 359.57182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CCC(CSC2=NC=CN2)N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CCC(CSC2=NC=CN2)N

InChI

InChI=1S/C21H33N3S/c1-2-3-4-5-6-7-8-18-9-11-19(12-10-18)13-14-20(22)17-25-21-23-15-16-24-21/h9-12,15-16,20H,2-8,13-14,17,22H2,1H3,(H,23,24)