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

Systemtic Name: 1-(3-ethanoylphenyl)-3-[(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]urea Openeye Name: 1-(3-acetylphenyl)-3-[(4-isopropyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]urea CAS Name: 1-(3-acetylphenyl)-3-[[5-(methylthio)-4-propan-2-yl-1,2,4-triazol-3-yl]methyl]urea IUPAC Name: 1-(3-acetylphenyl)-3-[(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]urea Traditional Name: 1-(3-acetylphenyl)-3-[[4-isopropyl-5-(methylthio)-1,2,4-triazol-3-yl]methyl]urea Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SC)CNC(=O)NC2=CC=CC(=C2)C(=O)C

Isomeric SMILES

CC(C)N1C(=NN=C1SC)CNC(=O)NC2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C16H21N5O2S/c1-10(2)21-14(19-20-16(21)24-4)9-17-15(23)18-13-7-5-6-12(8-13)11(3)22/h5-8,10H,9H2,1-4H3,(H2,17,18,23)