ethyl 5-ethyl-2-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[oxo-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)CN3C=NC=N3)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)CN3C=NC=N3)C(=O)OCC

InChI

InChI=1S/C19H20N4O3S/c1-3-15-9-16(19(25)26-4-2)18(27-15)22-17(24)14-7-5-13(6-8-14)10-23-12-20-11-21-23/h5-9,11-12H,3-4,10H2,1-2H3,(H,22,24)