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

Systemtic Name: prop-2-enyl 2-[2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: allyl 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 prop-2-enyl ester IUPAC Name: prop-2-enyl 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 allyl ester Formula: C14H18N6O3S2 MolecularWeight: 382.46112

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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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N6O3S2/c1-5-6-23-11(22)9-7(2)16-13(25-9)17-10(21)8(3)20-12(15)18-19-14(20)24-4/h5,8H,1,6H2,2-4H3,(H2,15,18)(H,16,17,21)