3-(4-butoxyphenyl)-4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(4-butoxyphenyl)-4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(4-butoxyphenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-(4-butoxyphenyl)-4-phenyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(4-butoxyphenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(4-butoxyphenyl)-4-phenyl-1,2,4-triazole Formula: C25H25N3OS MolecularWeight: 415.5505

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C25H25N3OS/c1-2-3-18-29-23-16-14-21(15-17-23)24-26-27-25(28(24)22-12-8-5-9-13-22)30-19-20-10-6-4-7-11-20/h4-17H,2-3,18-19H2,1H3