5-butyl-2-(phenylsulfanylmethyl)-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one

Systemtic Name: 5-butyl-2-(phenylsulfanylmethyl)-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one Openeye Name: 5-butyl-2-(phenylsulfanylmethyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one CAS Name: 5-butyl-2-[(phenylthio)methyl]-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one IUPAC Name: 5-butyl-2-(phenylsulfanylmethyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one Traditional Name: 5-butyl-2-[(phenylthio)methyl]-4-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]-1,2,4-triazol-3-one Formula: C27H27N7OS MolecularWeight: 497.61458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CSC5=CC=CC=C5

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CSC5=CC=CC=C5

InChI

InChI=1S/C27H27N7OS/c1-2-3-13-25-30-34(19-36-22-9-5-4-6-10-22)27(35)33(25)18-20-14-16-21(17-15-20)23-11-7-8-12-24(23)26-28-31-32-29-26/h4-12,14-17H,2-3,13,18-19H2,1H3,(H,28,29,31,32)