methyl 2-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methyl-pentanoate CAS Name: 2-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C19H26N4O3S MolecularWeight: 390.49974

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=NN=C(N1CC)C2=CC=CC=C2

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CSC1=NN=C(N1CC)C2=CC=CC=C2

InChI

InChI=1S/C19H26N4O3S/c1-5-13(3)16(18(25)26-4)20-15(24)12-27-19-22-21-17(23(19)6-2)14-10-8-7-9-11-14/h7-11,13,16H,5-6,12H2,1-4H3,(H,20,24)