[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl] ester Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)COC(=O)C1=CC=C(C=C1)N2C=NC=N2

Isomeric SMILES

CCC(CC)(C#C)NC(=O)COC(=O)C1=CC=C(C=C1)N2C=NC=N2

InChI

InChI=1S/C18H20N4O3/c1-4-18(5-2,6-3)21-16(23)11-25-17(24)14-7-9-15(10-8-14)22-13-19-12-20-22/h1,7-10,12-13H,5-6,11H2,2-3H3,(H,21,23)