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

Systemtic Name: 4-(4-butylphenyl)-3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-butylphenyl)-3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-butylphenyl)-3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-butylphenyl)-3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-butylphenyl)-3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione Formula: C18H18ClN3S MolecularWeight: 343.87362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN3S/c1-2-3-4-13-5-11-16(12-6-13)22-17(20-21-18(22)23)14-7-9-15(19)10-8-14/h5-12H,2-4H2,1H3,(H,21,23)