5-azanyl-4-(5-methoxy-2-oxidanyl-phenyl)carbonyl-N-phenyl-pyrazole-1-carbothioamide

Systemtic Name: 5-azanyl-4-(5-methoxy-2-oxidanyl-phenyl)carbonyl-N-phenyl-pyrazole-1-carbothioamide Openeye Name: 5-amino-4-(2-hydroxy-5-methoxy-benzoyl)-N-phenyl-pyrazole-1-carbothioamide CAS Name: 5-amino-4-[(2-hydroxy-5-methoxyphenyl)-oxomethyl]-N-phenyl-1-pyrazolecarbothioamide IUPAC Name: 5-amino-4-(2-hydroxy-5-methoxybenzoyl)-N-phenylpyrazole-1-carbothioamide Traditional Name: 5-amino-4-(2-hydroxy-5-methoxy-benzoyl)-N-phenyl-pyrazole-1-carbothioamide Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C(=O)C2=C(N(N=C2)C(=S)NC3=CC=CC=C3)N

Isomeric SMILES

COC1=CC(=C(C=C1)O)C(=O)C2=C(N(N=C2)C(=S)NC3=CC=CC=C3)N

InChI

InChI=1S/C18H16N4O3S/c1-25-12-7-8-15(23)13(9-12)16(24)14-10-20-22(17(14)19)18(26)21-11-5-3-2-4-6-11/h2-10,23H,19H2,1H3,(H,21,26)