methyl 2-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-2-methyl-propanoate

Systemtic Name: methyl 2-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-2-methyl-propanoate Openeye Name: methyl 2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-2-methyl-propanoate CAS Name: 2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-2-methylpropanoate Traditional Name: 2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-2-methyl-propionic acid methyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C(=O)OC)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3S/c1-21(2,19(27)28-3)22-17(26)14-29-20-24-23-18(15-10-6-4-7-11-15)25(20)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3,(H,22,26)