2-methylpropyl 2-[2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: 2-methylpropyl 2-[2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: isobutyl 2-[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-1-oxopropyl]amino]-4-methyl-5-thiazolecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]propanoylamino]-4-methyl-thiazole-5-carboxylic acid isobutyl ester Formula: C15H22N6O3S2 MolecularWeight: 398.50358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C(C)N2C(=NN=C2SC)N)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C(C)N2C(=NN=C2SC)N)C(=O)OCC(C)C

InChI

InChI=1S/C15H22N6O3S2/c1-7(2)6-24-12(23)10-8(3)17-14(26-10)18-11(22)9(4)21-13(16)19-20-15(21)25-5/h7,9H,6H2,1-5H3,(H2,16,19)(H,17,18,22)