3-(5-chloranyl-2-methoxy-phenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(5-chloranyl-2-methoxy-phenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-benzyl-3-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(5-chloro-2-methoxyphenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-benzyl-3-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-benzyl-3-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazole-5-thione Formula: C16H14ClN3OS MolecularWeight: 331.81986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NNC(=S)N2CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NNC(=S)N2CC3=CC=CC=C3

InChI

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