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

Systemtic Name: ethyl 2-[2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C14H20N6O3S2 MolecularWeight: 384.477

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N6O3S2/c1-5-8(20-12(15)18-19-14(20)24-4)10(21)17-13-16-7(3)9(25-13)11(22)23-6-2/h8H,5-6H2,1-4H3,(H2,15,18)(H,16,17,21)