ethyl 2-[2-[3-azanyl-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]ethanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[3-azanyl-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]ethanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[3-amino-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]acetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[3-amino-5-(cyanomethylthio)-1,2,4-triazol-4-yl]-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[3-amino-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]acetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[3-amino-5-(cyanomethylthio)-1,2,4-triazol-4-yl]acetyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H18N6O3S2 MolecularWeight: 442.51462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CN3C(=NN=C3SCC#N)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CN3C(=NN=C3SCC#N)N

InChI

InChI=1S/C19H18N6O3S2/c1-2-28-17(27)13-10-14(12-6-4-3-5-7-12)30-16(13)22-15(26)11-25-18(21)23-24-19(25)29-9-8-20/h3-7,10H,2,9,11H2,1H3,(H2,21,23)(H,22,26)