(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C19H17N5O4S MolecularWeight: 411.43438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=NN(N=C2C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=NN(N=C2C)C3=CC=CC=C3

InChI

InChI=1S/C19H17N5O4S/c1-3-27-19(26)16-14(13(9-20)17(21)29-16)10-28-18(25)15-11(2)22-24(23-15)12-7-5-4-6-8-12/h4-8H,3,10,21H2,1-2H3