6-[[4-(4-butylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-[[4-(4-butylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-[[4-(4-butylphenyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[[[4-(4-butylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[[4-(4-butylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[[[4-(4-butylphenyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C26H29N5O2S MolecularWeight: 475.60576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H29N5O2S/c1-5-6-7-19-10-14-21(15-11-19)31-24(20-12-8-18(2)9-13-20)27-28-25(31)34-17-22-16-23(32)30(4)26(33)29(22)3/h8-16H,5-7,17H2,1-4H3