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

Systemtic Name: ethyl 2-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-5-bromanyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-bromo-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-5-bromo-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-bromo-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]-5-bromo-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H16BrN5O3S2 MolecularWeight: 482.37464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Br)NC(=O)CSC3=NNC(=N3)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Br)NC(=O)CSC3=NNC(=N3)N

InChI

InChI=1S/C17H16BrN5O3S2/c1-2-26-15(25)12-11(9-6-4-3-5-7-9)13(18)28-14(12)20-10(24)8-27-17-21-16(19)22-23-17/h3-7H,2,8H2,1H3,(H,20,24)(H3,19,21,22,23)