2-(2,4-dichlorophenyl)-4-imidazol-1-yl-N-(3-naphthalen-2-ylsulfanylpropyl)butan-1-amine

Systemtic Name: 2-(2,4-dichlorophenyl)-4-imidazol-1-yl-N-(3-naphthalen-2-ylsulfanylpropyl)butan-1-amine Openeye Name: 2-(2,4-dichlorophenyl)-4-imidazol-1-yl-N-[3-(2-naphthylsulfanyl)propyl]butan-1-amine CAS Name: 2-(2,4-dichlorophenyl)-4-(1-imidazolyl)-N-[3-(2-naphthalenylthio)propyl]-1-butanamine IUPAC Name: 2-(2,4-dichlorophenyl)-4-imidazol-1-yl-N-(3-naphthalen-2-ylsulfanylpropyl)butan-1-amine Traditional Name: [2-(2,4-dichlorophenyl)-4-imidazol-1-yl-butyl]-[3-(2-naphthylthio)propyl]amine Formula: C26H27Cl2N3S MolecularWeight: 484.48368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)SCCCNCC(CCN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)SCCCNCC(CCN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C26H27Cl2N3S/c27-23-7-9-25(26(28)17-23)22(10-13-31-14-12-30-19-31)18-29-11-3-15-32-24-8-6-20-4-1-2-5-21(20)16-24/h1-2,4-9,12,14,16-17,19,22,29H,3,10-11,13,15,18H2