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

Systemtic Name: 4-(4-butylphenyl)-3-(naphthalen-1-ylmethylsulfanylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-butylphenyl)-3-(1-naphthylmethylsulfanylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-butylphenyl)-3-[(1-naphthalenylmethylthio)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-butylphenyl)-3-(naphthalen-1-ylmethylsulfanylmethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-butylphenyl)-3-[(1-naphthylmethylthio)methyl]-1H-1,2,4-triazole-5-thione Formula: C24H25N3S2 MolecularWeight: 419.6054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NNC2=S)CSCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NNC2=S)CSCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H25N3S2/c1-2-3-7-18-12-14-21(15-13-18)27-23(25-26-24(27)28)17-29-16-20-10-6-9-19-8-4-5-11-22(19)20/h4-6,8-15H,2-3,7,16-17H2,1H3,(H,26,28)