4-phenyl-5-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-phenyl-5-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-[(4-isopropoxyphenyl)methyl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 4-phenyl-5-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-phenyl-5-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-isopropoxybenzyl)-4-phenyl-1,2,4-triazole-3-thiolate Formula: C18H18N3OS- MolecularWeight: 324.42002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)[S-]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)[S-]

InChI

InChI=1S/C18H19N3OS/c1-13(2)22-16-10-8-14(9-11-16)12-17-19-20-18(23)21(17)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,20,23)/p-1