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

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-2-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazole-3-thione Openeye Name: 5-(5-chloro-2-methoxy-phenyl)-2-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazole-3-thione CAS Name: 5-(5-chloro-2-methoxyphenyl)-2-(1-pyrrolidinylmethyl)-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazole-3-thione Traditional Name: 5-(5-chloro-2-methoxy-phenyl)-2-(pyrrolidinomethyl)-1H-1,2,4-triazole-3-thione Formula: C14H17ClN4OS MolecularWeight: 324.82898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NC(=S)N(N2)CN3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=S)N(N2)CN3CCCC3

InChI

InChI=1S/C14H17ClN4OS/c1-20-12-5-4-10(15)8-11(12)13-16-14(21)19(17-13)9-18-6-2-3-7-18/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,17,21)