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

Systemtic Name: methyl 2-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methyl-pentanoate CAS Name: 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C11H19N5O3S MolecularWeight: 301.36526

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=NNC(=N1)N

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CSC1=NNC(=N1)N

InChI

InChI=1S/C11H19N5O3S/c1-4-6(2)8(9(18)19-3)13-7(17)5-20-11-14-10(12)15-16-11/h6,8H,4-5H2,1-3H3,(H,13,17)(H3,12,14,15,16)