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

Systemtic Name: 6-[[5-butylsulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[5-butylsulfanyl-4-(m-tolyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[5-(butylthio)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[5-butylsulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[5-(butylthio)-4-(m-tolyl)-1,2,4-triazol-3-yl]methyl]uracil Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O2S/c1-3-4-8-26-18-22-21-15(10-13-11-16(24)20-17(25)19-13)23(18)14-7-5-6-12(2)9-14/h5-7,9,11H,3-4,8,10H2,1-2H3,(H2,19,20,24,25)