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

Systemtic Name: 3-[(3-chloranyl-4-methoxy-phenyl)methyl]-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-benzyl-3-[(3-chloro-4-methoxy-phenyl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[(3-chloro-4-methoxyphenyl)methyl]-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-benzyl-3-[(3-chloro-4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-benzyl-3-(3-chloro-4-methoxy-benzyl)-1H-1,2,4-triazole-5-thione Formula: C17H16ClN3OS MolecularWeight: 345.84644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NNC(=S)N2CC3=CC=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NNC(=S)N2CC3=CC=CC=C3)Cl

InChI

InChI=1S/C17H16ClN3OS/c1-22-15-8-7-13(9-14(15)18)10-16-19-20-17(23)21(16)11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,20,23)