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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[5-morpholino-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[4-(2-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[5-morpholino-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C22H24N6O3S2 MolecularWeight: 484.59436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(N2C3=CC=CC=C3C)N4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(N2C3=CC=CC=C3C)N4CCOCC4

InChI

InChI=1S/C22H24N6O3S2/c1-3-31-20(29)18-16(15(12-23)19(24)33-18)13-32-22-26-25-21(27-8-10-30-11-9-27)28(22)17-7-5-4-6-14(17)2/h4-7H,3,8-11,13,24H2,1-2H3