6-[[5-butylsulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione

Systemtic Name: 6-[[5-butylsulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[5-butylsulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[5-(butylthio)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[5-butylsulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[5-(butylthio)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]uracil Formula: C17H18ClN5O2S MolecularWeight: 391.87512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=CC=C(C=C2)Cl)CC3=CC(=O)NC(=O)N3

Isomeric SMILES

CCCCSC1=NN=C(N1C2=CC=C(C=C2)Cl)CC3=CC(=O)NC(=O)N3

InChI

InChI=1S/C17H18ClN5O2S/c1-2-3-8-26-17-22-21-14(9-12-10-15(24)20-16(25)19-12)23(17)13-6-4-11(18)5-7-13/h4-7,10H,2-3,8-9H2,1H3,(H2,19,20,24,25)