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

Systemtic Name: ethyl 2-[2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)ethanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]acetyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H19N5O3S2 MolecularWeight: 417.50516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CN3C(=NN=C3SC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CN3C(=NN=C3SC)N

InChI

InChI=1S/C18H19N5O3S2/c1-3-26-16(25)12-9-13(11-7-5-4-6-8-11)28-15(12)20-14(24)10-23-17(19)21-22-18(23)27-2/h4-9H,3,10H2,1-2H3,(H2,19,21)(H,20,24)