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

Systemtic Name: 1-[5-[(3-methoxyphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]benzotriazole Openeye Name: 1-[5-[(3-methoxyphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]benzotriazole CAS Name: 1-[5-[(3-methoxyphenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]benzotriazole IUPAC Name: 1-[5-[(3-methoxyphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]benzotriazole Traditional Name: 1-[5-(m-anisylthio)-4-phenyl-1,2,4-triazol-3-yl]benzotriazole Formula: C22H18N6OS MolecularWeight: 414.48292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NN=C(N2C3=CC=CC=C3)N4C5=CC=CC=C5N=N4

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NN=C(N2C3=CC=CC=C3)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H18N6OS/c1-29-18-11-7-8-16(14-18)15-30-22-25-24-21(27(22)17-9-3-2-4-10-17)28-20-13-6-5-12-19(20)23-26-28/h2-14H,15H2,1H3