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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC(C)C)C)N2C(=NN=C2SC)N

Isomeric SMILES

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC(C)C)C)N2C(=NN=C2SC)N

InChI

InChI=1S/C16H24N6O3S2/c1-6-10(22-14(17)20-21-16(22)26-5)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)