1-(5-diethoxyphosphorylpentyl)-5-(phenylcarbonylcarbamothioylamino)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-(5-diethoxyphosphorylpentyl)-5-(phenylcarbonylcarbamothioylamino)-1,2,3-triazole-4-carboxamide Openeye Name: 5-(benzoylcarbamothioylamino)-1-(5-diethoxyphosphorylpentyl)triazole-4-carboxamide CAS Name: 5-[[benzamido(sulfanylidene)methyl]amino]-1-(5-diethoxyphosphorylpentyl)-4-triazolecarboxamide IUPAC Name: 5-(benzoylcarbamothioylamino)-1-(5-diethoxyphosphorylpentyl)triazole-4-carboxamide Traditional Name: 5-(benzoylthiocarbamoylamino)-1-(5-diethoxyphosphorylpentyl)triazole-4-carboxamide Formula: C20H29N6O5PS MolecularWeight: 496.520221

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCCCN1C(=C(N=N1)C(=O)N)NC(=S)NC(=O)C2=CC=CC=C2)OCC

Isomeric SMILES

CCOP(=O)(CCCCCN1C(=C(N=N1)C(=O)N)NC(=S)NC(=O)C2=CC=CC=C2)OCC

InChI

InChI=1S/C20H29N6O5PS/c1-3-30-32(29,31-4-2)14-10-6-9-13-26-18(16(17(21)27)24-25-26)22-20(33)23-19(28)15-11-7-5-8-12-15/h5,7-8,11-12H,3-4,6,9-10,13-14H2,1-2H3,(H2,21,27)(H2,22,23,28,33)