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

Systemtic Name: 4-(4-butylphenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-butylphenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-butylphenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-butylphenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-butylphenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione Formula: C20H23N3S MolecularWeight: 337.48172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NNC2=S)CCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NNC2=S)CCC3=CC=CC=C3

InChI

InChI=1S/C20H23N3S/c1-2-3-7-17-10-13-18(14-11-17)23-19(21-22-20(23)24)15-12-16-8-5-4-6-9-16/h4-6,8-11,13-14H,2-3,7,12,15H2,1H3,(H,22,24)