ethyl 5-azanyl-3-[[1-(4-bromophenyl)imidazol-2-yl]sulfanylmethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[[1-(4-bromophenyl)imidazol-2-yl]sulfanylmethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[1-(4-bromophenyl)imidazol-2-yl]sulfanylmethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[[1-(4-bromophenyl)-2-imidazolyl]thio]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[1-(4-bromophenyl)imidazol-2-yl]sulfanylmethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[[1-(4-bromophenyl)imidazol-2-yl]thio]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C18H15BrN4O2S2 MolecularWeight: 463.3713

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC=CN2C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC=CN2C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H15BrN4O2S2/c1-2-25-17(24)15-14(13(9-20)16(21)27-15)10-26-18-22-7-8-23(18)12-5-3-11(19)4-6-12/h3-8H,2,10,21H2,1H3