3-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-chlorobenzyl)-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C16H14ClN3OS MolecularWeight: 331.81986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NNC2=S)CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=CC=C1N2C(=NNC2=S)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H14ClN3OS/c1-21-14-5-3-2-4-13(14)20-15(18-19-16(20)22)10-11-6-8-12(17)9-7-11/h2-9H,10H2,1H3,(H,19,22)