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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H19N5O2S3 MolecularWeight: 445.58146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(S2)NCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(S2)NCCC3=CC=CC=C3

InChI

InChI=1S/C19H19N5O2S3/c1-2-26-17(25)15-14(13(10-20)16(21)28-15)11-27-19-24-23-18(29-19)22-9-8-12-6-4-3-5-7-12/h3-7H,2,8-9,11,21H2,1H3,(H,22,23)