3-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-ol

Systemtic Name: 3-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-ol Openeye Name: 3-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-ol CAS Name: 3-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-propanol IUPAC Name: 3-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-ol Traditional Name: 3-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propan-1-ol Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCCO

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCCO

InChI

InChI=1S/C21H25N3OS/c1-21(2,3)17-12-10-16(11-13-17)19-22-23-20(26-15-7-14-25)24(19)18-8-5-4-6-9-18/h4-6,8-13,25H,7,14-15H2,1-3H3