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

Systemtic Name: ethyl 4,5-dimethyl-2-[2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H21N4O3S2+ MolecularWeight: 417.52504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=[N+](NC=N2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=[N+](NC=N2)C3=CC=CC=C3

InChI

InChI=1S/C19H20N4O3S2/c1-4-26-18(25)16-12(2)13(3)28-17(16)22-15(24)10-27-19-20-11-21-23(19)14-8-6-5-7-9-14/h5-9,11H,4,10H2,1-3H3,(H,22,24,25)/p+1