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

Systemtic Name: 5-[(3-chloranyl-4-propan-2-yloxy-phenyl)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[(3-chloro-4-isopropoxy-phenyl)methyl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-(3-chloro-4-isopropoxy-benzyl)-4-phenyl-1,2,4-triazole-3-thiolate Formula: C18H17ClN3OS- MolecularWeight: 358.86508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3OS/c1-12(2)23-16-9-8-13(10-15(16)19)11-17-20-21-18(24)22(17)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,21,24)/p-1