1-[5-(2-phenoxyethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]benzotriazole

Systemtic Name: 1-[5-(2-phenoxyethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]benzotriazole Openeye Name: 1-[5-(2-phenoxyethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]benzotriazole CAS Name: 1-[5-(2-phenoxyethylthio)-4-phenyl-1,2,4-triazol-3-yl]benzotriazole IUPAC Name: 1-[5-(2-phenoxyethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]benzotriazole Traditional Name: 1-[5-(2-phenoxyethylthio)-4-phenyl-1,2,4-triazol-3-yl]benzotriazole Formula: C22H18N6OS MolecularWeight: 414.48292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCOC3=CC=CC=C3)N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCOC3=CC=CC=C3)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H18N6OS/c1-3-9-17(10-4-1)27-21(28-20-14-8-7-13-19(20)23-26-28)24-25-22(27)30-16-15-29-18-11-5-2-6-12-18/h1-14H,15-16H2