dimethyl 5-azanyl-3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H24N4O4S2 MolecularWeight: 424.53756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC3=C(SC(=C3C(=O)OC)N)C(=O)OC

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC3=C(SC(=C3C(=O)OC)N)C(=O)OC

InChI

InChI=1S/C18H24N4O4S2/c1-10-20-21-18(22(10)11-7-5-4-6-8-11)27-9-12-13(16(23)25-2)15(19)28-14(12)17(24)26-3/h11H,4-9,19H2,1-3H3