4-[4-(2-methylphenyl)-5-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-yl]morpholine

Systemtic Name: 4-[4-(2-methylphenyl)-5-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-yl]morpholine Openeye Name: 4-[4-(o-tolyl)-5-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-yl]morpholine CAS Name: 4-[4-(2-methylphenyl)-5-[(1-phenyl-5-tetrazolyl)methylthio]-1,2,4-triazol-3-yl]morpholine IUPAC Name: 4-[4-(2-methylphenyl)-5-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-yl]morpholine Traditional Name: 4-[4-(o-tolyl)-5-[(1-phenyltetrazol-5-yl)methylthio]-1,2,4-triazol-3-yl]morpholine Formula: C21H22N8OS MolecularWeight: 434.51738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC3=NN=NN3C4=CC=CC=C4)N5CCOCC5

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC3=NN=NN3C4=CC=CC=C4)N5CCOCC5

InChI

InChI=1S/C21H22N8OS/c1-16-7-5-6-10-18(16)28-20(27-11-13-30-14-12-27)23-24-21(28)31-15-19-22-25-26-29(19)17-8-3-2-4-9-17/h2-10H,11-15H2,1H3