3-[(3-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazole

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-4-(2-furylmethyl)-5-phenyl-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-4-(2-furanylmethyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-4-(2-furfuryl)-5-phenyl-1,2,4-triazole Formula: C20H16BrN3OS MolecularWeight: 426.32954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC(=CC=C4)Br

InChI

InChI=1S/C20H16BrN3OS/c21-17-9-4-6-15(12-17)14-26-20-23-22-19(16-7-2-1-3-8-16)24(20)13-18-10-5-11-25-18/h1-12H,13-14H2