ethyl 5-azanyl-3-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C17H22N6O2S2 MolecularWeight: 406.52558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(N2N)C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(N2N)C3CCCCC3

InChI

InChI=1S/C17H22N6O2S2/c1-2-25-16(24)13-12(11(8-18)14(19)27-13)9-26-17-22-21-15(23(17)20)10-6-4-3-5-7-10/h10H,2-7,9,19-20H2,1H3