1-(3-ethanoylphenyl)-3-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]urea

Systemtic Name: 1-(3-ethanoylphenyl)-3-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]urea Openeye Name: 1-(3-acetylphenyl)-3-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]urea CAS Name: 1-(3-acetylphenyl)-3-[[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]methyl]urea IUPAC Name: 1-(3-acetylphenyl)-3-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]urea Traditional Name: 1-(3-acetylphenyl)-3-[[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]methyl]urea Formula: C14H17N5O2S MolecularWeight: 319.38208

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)NCC2=NN=C(N2C)SC

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)NCC2=NN=C(N2C)SC

InChI

InChI=1S/C14H17N5O2S/c1-9(20)10-5-4-6-11(7-10)16-13(21)15-8-12-17-18-14(22-3)19(12)2/h4-7H,8H2,1-3H3,(H2,15,16,21)