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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C16H19N5O2S2 MolecularWeight: 377.48436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NNC(=N2)C3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NNC(=N2)C3CCCC3

InChI

InChI=1S/C16H19N5O2S2/c1-2-23-15(22)12-11(10(7-17)13(18)25-12)8-24-16-19-14(20-21-16)9-5-3-4-6-9/h9H,2-6,8,18H2,1H3,(H,19,20,21)