2-methylpropyl 2-[2-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: 2-methylpropyl 2-[2-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: isobutyl 2-[[2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-4-methyl-5-thiazolecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[[2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-4-methyl-thiazole-5-carboxylic acid isobutyl ester Formula: C17H26N6O3S2 MolecularWeight: 426.55674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1N)SCC(=O)NC2=NC(=C(S2)C(=O)OCC(C)C)C

Isomeric SMILES

CCCCC1=NN=C(N1N)SCC(=O)NC2=NC(=C(S2)C(=O)OCC(C)C)C

InChI

InChI=1S/C17H26N6O3S2/c1-5-6-7-12-21-22-17(23(12)18)27-9-13(24)20-16-19-11(4)14(28-16)15(25)26-8-10(2)3/h10H,5-9,18H2,1-4H3,(H,19,20,24)