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

Systemtic Name: 2-methylpropyl 2-[2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: isobutyl 2-[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[3-amino-5-(ethylthio)-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-ethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]propanoylamino]-4-methyl-thiazole-5-carboxylic acid isobutyl ester Formula: C16H24N6O3S2 MolecularWeight: 412.53016

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C(C)C(=O)NC2=NC(=C(S2)C(=O)OCC(C)C)C)N

Isomeric SMILES

CCSC1=NN=C(N1C(C)C(=O)NC2=NC(=C(S2)C(=O)OCC(C)C)C)N

InChI

InChI=1S/C16H24N6O3S2/c1-6-26-16-21-20-14(17)22(16)10(5)12(23)19-15-18-9(4)11(27-15)13(24)25-7-8(2)3/h8,10H,6-7H2,1-5H3,(H2,17,20)(H,18,19,23)