1-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylphenyl]imidazol-2-amine

Systemtic Name: 1-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylphenyl]imidazol-2-amine Openeye Name: 1-[4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]sulfanylphenyl]imidazol-2-amine CAS Name: 1-[4-[[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]thio]phenyl]-2-imidazolamine IUPAC Name: 1-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanylphenyl]imidazol-2-amine Traditional Name: [1-[4-[[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]thio]phenyl]imidazol-2-yl]amine Formula: C22H22ClN5S MolecularWeight: 423.96158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(CN2C=CN=C2)SC3=CC=C(C=C3)N4C=CN=C4N)Cl

Isomeric SMILES

C1=CC(=CC=C1CCC(CN2C=CN=C2)SC3=CC=C(C=C3)N4C=CN=C4N)Cl

InChI

InChI=1S/C22H22ClN5S/c23-18-4-1-17(2-5-18)3-8-21(15-27-13-11-25-16-27)29-20-9-6-19(7-10-20)28-14-12-26-22(28)24/h1-2,4-7,9-14,16,21H,3,8,15H2,(H2,24,26)