(1S)-1-[5-[(3-bromophenyl)methylsulfanyl]-4-cyclopentyl-1,2,4-triazol-3-yl]-3-methyl-butan-1-amine

Systemtic Name: (1S)-1-[5-[(3-bromophenyl)methylsulfanyl]-4-cyclopentyl-1,2,4-triazol-3-yl]-3-methyl-butan-1-amine Openeye Name: (1S)-1-[5-[(3-bromophenyl)methylsulfanyl]-4-cyclopentyl-1,2,4-triazol-3-yl]-3-methyl-butan-1-amine CAS Name: (1S)-1-[5-[(3-bromophenyl)methylthio]-4-cyclopentyl-1,2,4-triazol-3-yl]-3-methyl-1-butanamine IUPAC Name: (1S)-1-[5-[(3-bromophenyl)methylsulfanyl]-4-cyclopentyl-1,2,4-triazol-3-yl]-3-methylbutan-1-amine Traditional Name: [(1S)-1-[5-[(3-bromobenzyl)thio]-4-cyclopentyl-1,2,4-triazol-3-yl]-3-methyl-butyl]amine Formula: C19H27BrN4S MolecularWeight: 423.41348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=NN=C(N1C2CCCC2)SCC3=CC(=CC=C3)Br)N

Isomeric SMILES

CC(C)C[C@@H](C1=NN=C(N1C2CCCC2)SCC3=CC(=CC=C3)Br)N

InChI

InChI=1S/C19H27BrN4S/c1-13(2)10-17(21)18-22-23-19(24(18)16-8-3-4-9-16)25-12-14-6-5-7-15(20)11-14/h5-7,11,13,16-17H,3-4,8-10,12,21H2,1-2H3/t17-/m0/s1