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

Systemtic Name: 4-(4-butylphenyl)-3-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-butylphenyl)-3-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-butylphenyl)-3-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-butylphenyl)-3-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-butylphenyl)-3-phenyl-1H-1,2,4-triazole-5-thione Formula: C18H19N3S MolecularWeight: 309.42856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3S/c1-2-3-7-14-10-12-16(13-11-14)21-17(19-20-18(21)22)15-8-5-4-6-9-15/h4-6,8-13H,2-3,7H2,1H3,(H,20,22)