3-[(3-bromophenyl)methylsulfanyl]-5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-[(3-bromophenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(3-bromophenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazole Traditional Name: 4-benzyl-3-[(3-bromobenzyl)thio]-5-cyclopropyl-1,2,4-triazole Formula: C19H18BrN3S MolecularWeight: 400.33532

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC(=CC=C4)Br

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC(=CC=C4)Br

InChI

InChI=1S/C19H18BrN3S/c20-17-8-4-7-15(11-17)13-24-19-22-21-18(16-9-10-16)23(19)12-14-5-2-1-3-6-14/h1-8,11,16H,9-10,12-13H2