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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C16H15N5O2S3 MolecularWeight: 405.5176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NNC(=N2)CC3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NNC(=N2)CC3=CC=CS3

InChI

InChI=1S/C16H15N5O2S3/c1-2-23-15(22)13-11(10(7-17)14(18)26-13)8-25-16-19-12(20-21-16)6-9-4-3-5-24-9/h3-5H,2,6,8,18H2,1H3,(H,19,20,21)