4-(4-chloranyl-2-methyl-phenyl)-3-(thiomorpholin-4-ylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(4-chloranyl-2-methyl-phenyl)-3-(thiomorpholin-4-ylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-chloro-2-methyl-phenyl)-3-(thiomorpholinomethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-chloro-2-methylphenyl)-3-(thiomorpholin-4-ylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-chloro-2-methylphenyl)-3-(thiomorpholin-4-ylmethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-chloro-2-methyl-phenyl)-3-(thiomorpholinomethyl)-1H-1,2,4-triazole-5-thione Formula: C14H17ClN4S2 MolecularWeight: 340.89458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)N2C(=NNC2=S)CN3CCSCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)N2C(=NNC2=S)CN3CCSCC3

InChI

InChI=1S/C14H17ClN4S2/c1-10-8-11(15)2-3-12(10)19-13(16-17-14(19)20)9-18-4-6-21-7-5-18/h2-3,8H,4-7,9H2,1H3,(H,17,20)