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

Systemtic Name: methyl 2-[2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-4-methyl-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-4-methyl-thiazole-5-carboxylic acid methyl ester Formula: C16H22N6O3S2 MolecularWeight: 410.51428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CSC2=NN=C(N2N)C3CCCCC3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CSC2=NN=C(N2N)C3CCCCC3)C(=O)OC

InChI

InChI=1S/C16H22N6O3S2/c1-9-12(14(24)25-2)27-15(18-9)19-11(23)8-26-16-21-20-13(22(16)17)10-6-4-3-5-7-10/h10H,3-8,17H2,1-2H3,(H,18,19,23)