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

Systemtic Name: ethyl 5-azanyl-3-[(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(1-amino-4-phenyl-imidazol-2-yl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(1-amino-4-phenyl-2-imidazolyl)thio]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(1-amino-4-phenylimidazol-2-yl)sulfanylmethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[(1-amino-4-phenyl-imidazol-2-yl)thio]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C18H17N5O2S2 MolecularWeight: 399.48988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC(=CN2N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC(=CN2N)C3=CC=CC=C3

InChI

InChI=1S/C18H17N5O2S2/c1-2-25-17(24)15-13(12(8-19)16(20)27-15)10-26-18-22-14(9-23(18)21)11-6-4-3-5-7-11/h3-7,9H,2,10,20-21H2,1H3