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

Systemtic Name: 1-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylphenyl]-1,2,4-triazole Openeye Name: 1-[4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]sulfanylphenyl]-1,2,4-triazole CAS Name: 1-[4-[[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]thio]phenyl]-1,2,4-triazole IUPAC Name: 1-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanylphenyl]-1,2,4-triazole Traditional Name: 1-[4-[[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]thio]phenyl]-1,2,4-triazole Formula: C21H20ClN5S MolecularWeight: 409.935

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(CN2C=CN=C2)SC3=CC=C(C=C3)N4C=NC=N4)Cl

Isomeric SMILES

C1=CC(=CC=C1CCC(CN2C=CN=C2)SC3=CC=C(C=C3)N4C=NC=N4)Cl

InChI

InChI=1S/C21H20ClN5S/c22-18-4-1-17(2-5-18)3-8-21(13-26-12-11-23-15-26)28-20-9-6-19(7-10-20)27-16-24-14-25-27/h1-2,4-7,9-12,14-16,21H,3,8,13H2