6-[[4-(4-ethoxyphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione

Systemtic Name: 6-[[4-(4-ethoxyphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[4-(4-ethoxyphenyl)-5-isopropylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[4-(4-ethoxyphenyl)-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[4-(4-ethoxyphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[5-(isopropylthio)-4-p-phenetyl-1,2,4-triazol-3-yl]methyl]uracil Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SC(C)C)CC3=CC(=O)NC(=O)N3

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SC(C)C)CC3=CC(=O)NC(=O)N3

InChI

InChI=1S/C18H21N5O3S/c1-4-26-14-7-5-13(6-8-14)23-15(21-22-18(23)27-11(2)3)9-12-10-16(24)20-17(25)19-12/h5-8,10-11H,4,9H2,1-3H3,(H2,19,20,24,25)