3-(4-chlorophenyl)-4-(2-methylhexyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(4-chlorophenyl)-4-(2-methylhexyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-chlorophenyl)-4-(2-methylhexyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-chlorophenyl)-4-(2-methylhexyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-chlorophenyl)-4-(2-methylhexyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-chlorophenyl)-4-(2-methylhexyl)-1H-1,2,4-triazole-5-thione Formula: C15H20ClN3S MolecularWeight: 309.8574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CN1C(=NNC1=S)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCC(C)CN1C(=NNC1=S)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H20ClN3S/c1-3-4-5-11(2)10-19-14(17-18-15(19)20)12-6-8-13(16)9-7-12/h6-9,11H,3-5,10H2,1-2H3,(H,18,20)