4-(2,4-dimethylphenyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(2,4-dimethylphenyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(2,4-dimethylphenyl)-5-(1-naphthylmethyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(2,4-dimethylphenyl)-5-(1-naphthalenylmethyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2,4-dimethylphenyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(2,4-dimethylphenyl)-5-(1-naphthylmethyl)-1,2,4-triazole-3-thiolate Formula: C21H18N3S- MolecularWeight: 344.45272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=C2[S-])CC3=CC=CC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=C2[S-])CC3=CC=CC4=CC=CC=C43)C

InChI

InChI=1S/C21H19N3S/c1-14-10-11-19(15(2)12-14)24-20(22-23-21(24)25)13-17-8-5-7-16-6-3-4-9-18(16)17/h3-12H,13H2,1-2H3,(H,23,25)/p-1