5-[2-[4-[[3-butyl-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]-2H-1,2,3,4-tetrazole

Systemtic Name: 5-[2-[4-[[3-butyl-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]-2H-1,2,3,4-tetrazole Openeye Name: 5-[2-[4-[[3-butyl-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]-2H-tetrazole CAS Name: 5-[2-[4-[[3-butyl-5-[(3-methoxyphenyl)methylthio]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]-2H-tetrazole IUPAC Name: 5-[2-[4-[[3-butyl-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]-2H-tetrazole Traditional Name: 5-[2-[4-[[3-butyl-5-(m-anisylthio)-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]-2H-tetrazole Formula: C28H29N7OS MolecularWeight: 511.64116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)SCC5=CC(=CC=C5)OC

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)SCC5=CC(=CC=C5)OC

InChI

InChI=1S/C28H29N7OS/c1-3-4-12-26-29-32-28(37-19-21-8-7-9-23(17-21)36-2)35(26)18-20-13-15-22(16-14-20)24-10-5-6-11-25(24)27-30-33-34-31-27/h5-11,13-17H,3-4,12,18-19H2,1-2H3,(H,30,31,33,34)