2-[5-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazine

Systemtic Name: 2-[5-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazine Openeye Name: 2-[5-[(4-bromophenyl)methylsulfanyl]-4-(2-furylmethyl)-1,2,4-triazol-3-yl]pyrazine CAS Name: 2-[5-[(4-bromophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyrazine IUPAC Name: 2-[5-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazine Traditional Name: 2-[5-[(4-bromobenzyl)thio]-4-(2-furfuryl)-1,2,4-triazol-3-yl]pyrazine Formula: C18H14BrN5OS MolecularWeight: 428.30566

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=NC=CN=C4

Isomeric SMILES

C1=COC(=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=NC=CN=C4

InChI

InChI=1S/C18H14BrN5OS/c19-14-5-3-13(4-6-14)12-26-18-23-22-17(16-10-20-7-8-21-16)24(18)11-15-2-1-9-25-15/h1-10H,11-12H2