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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H19N5O2S2 MolecularWeight: 425.52716

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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=C3)C4CC4

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C20H19N5O2S2/c1-2-27-19(26)16-15(14(10-21)17(22)29-16)11-28-20-24-23-18(12-8-9-12)25(20)13-6-4-3-5-7-13/h3-7,12H,2,8-9,11,22H2,1H3