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

Systemtic Name: (phenylmethyl) 2-[2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C19H22N6O3S2 MolecularWeight: 446.54638

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C(C)C(=O)NC2=NC(=C(S2)C(=O)OCC3=CC=CC=C3)C)N

Isomeric SMILES

CCSC1=NN=C(N1C(C)C(=O)NC2=NC(=C(S2)C(=O)OCC3=CC=CC=C3)C)N

InChI

InChI=1S/C19H22N6O3S2/c1-4-29-19-24-23-17(20)25(19)12(3)15(26)22-18-21-11(2)14(30-18)16(27)28-10-13-8-6-5-7-9-13/h5-9,12H,4,10H2,1-3H3,(H2,20,23)(H,21,22,26)