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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-cyclopropyl-4-(2-furylmethyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-cyclopropyl-4-(2-furanylmethyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-5-cyclopropyl-4-(2-furfuryl)-1,2,4-triazole Formula: C17H16BrN3OS MolecularWeight: 390.29744

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)Br

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C17H16BrN3OS/c18-14-7-3-12(4-8-14)11-23-17-20-19-16(13-5-6-13)21(17)10-15-2-1-9-22-15/h1-4,7-9,13H,5-6,10-11H2