1-[[4-(4-bromophenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]benzotriazole

Systemtic Name: 1-[[4-(4-bromophenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]benzotriazole Openeye Name: 1-[[4-(4-bromophenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]benzotriazole CAS Name: 1-[[4-(4-bromophenyl)-5-(ethylthio)-1,2,4-triazol-3-yl]methyl]benzotriazole IUPAC Name: 1-[[4-(4-bromophenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]benzotriazole Traditional Name: 1-[[4-(4-bromophenyl)-5-(ethylthio)-1,2,4-triazol-3-yl]methyl]benzotriazole Formula: C17H15BrN6S MolecularWeight: 415.3102

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C2=CC=C(C=C2)Br)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CCSC1=NN=C(N1C2=CC=C(C=C2)Br)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H15BrN6S/c1-2-25-17-21-20-16(24(17)13-9-7-12(18)8-10-13)11-23-15-6-4-3-5-14(15)19-22-23/h3-10H,2,11H2,1H3