ethyl 5-bromanyl-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-bromanyl-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-bromo-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-bromo-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-bromo-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H17BrN4O3S2 MolecularWeight: 481.38658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Br)NC(=O)CSC3=NN=CN3C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Br)NC(=O)CSC3=NN=CN3C

InChI

InChI=1S/C18H17BrN4O3S2/c1-3-26-17(25)14-13(11-7-5-4-6-8-11)15(19)28-16(14)21-12(24)9-27-18-22-20-10-23(18)2/h4-8,10H,3,9H2,1-2H3,(H,21,24)