methyl 2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CN1C=NN=C1SCC(=O)NC(CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C15H18N4O3S/c1-19-10-16-18-15(19)23-9-13(20)17-12(14(21)22-2)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,17,20)