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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C12H13N5O2S2 MolecularWeight: 323.39392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=CN2C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=CN2C

InChI

InChI=1S/C12H13N5O2S2/c1-3-19-11(18)9-8(7(4-13)10(14)21-9)5-20-12-16-15-6-17(12)2/h6H,3,5,14H2,1-2H3