[1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC(=O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

CC(C(=O)NCC1=CC=CS1)OC(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C17H16N4O3S/c1-12(16(22)19-9-15-3-2-8-25-15)24-17(23)13-4-6-14(7-5-13)21-11-18-10-20-21/h2-8,10-12H,9H2,1H3,(H,19,22)