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

Systemtic Name: 5-[[3-chloranyl-4-(3-methylbutoxy)phenyl]methyl]-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[(3-chloro-4-isopentyloxy-phenyl)methyl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[[3-chloro-4-(3-methylbutoxy)phenyl]methyl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[[3-chloro-4-(3-methylbutoxy)phenyl]methyl]-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-(3-chloro-4-isoamoxy-benzyl)-4-phenyl-1,2,4-triazole-3-thiolate Formula: C20H21ClN3OS- MolecularWeight: 386.91824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)[S-])Cl

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)[S-])Cl

InChI

InChI=1S/C20H22ClN3OS/c1-14(2)10-11-25-18-9-8-15(12-17(18)21)13-19-22-23-20(26)24(19)16-6-4-3-5-7-16/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,26)/p-1