1-ethyl-4-[(4-methyl-2-oxidanylidene-chromen-7-yl)carbamothioylamino]pyrazole-3-carboxamide

Systemtic Name: 1-ethyl-4-[(4-methyl-2-oxidanylidene-chromen-7-yl)carbamothioylamino]pyrazole-3-carboxamide Openeye Name: 1-ethyl-4-[(4-methyl-2-oxo-chromen-7-yl)carbamothioylamino]pyrazole-3-carboxamide CAS Name: 1-ethyl-4-[[[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-sulfanylidenemethyl]amino]-3-pyrazolecarboxamide IUPAC Name: 1-ethyl-4-[(4-methyl-2-oxochromen-7-yl)carbamothioylamino]pyrazole-3-carboxamide Traditional Name: 1-ethyl-4-[(2-keto-4-methyl-chromen-7-yl)thiocarbamoylamino]pyrazole-3-carboxamide Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C

InChI

InChI=1S/C17H17N5O3S/c1-3-22-8-12(15(21-22)16(18)24)20-17(26)19-10-4-5-11-9(2)6-14(23)25-13(11)7-10/h4-8H,3H2,1-2H3,(H2,18,24)(H2,19,20,26)