1-(3-azanyl-2-oxidanyl-propyl)-5-methyl-2-phenyl-4-thiophen-2-ylcarbonyl-pyrazol-3-one

Systemtic Name: 1-(3-azanyl-2-oxidanyl-propyl)-5-methyl-2-phenyl-4-thiophen-2-ylcarbonyl-pyrazol-3-one Openeye Name: 1-(3-amino-2-hydroxy-propyl)-5-methyl-2-phenyl-4-(thiophene-2-carbonyl)pyrazol-3-one CAS Name: 1-(3-amino-2-hydroxypropyl)-5-methyl-4-[oxo(thiophen-2-yl)methyl]-2-phenyl-3-pyrazolone IUPAC Name: 1-(3-amino-2-hydroxypropyl)-5-methyl-2-phenyl-4-(thiophene-2-carbonyl)pyrazol-3-one Traditional Name: 1-(3-amino-2-hydroxy-propyl)-5-methyl-2-phenyl-4-(2-thenoyl)-3-pyrazolin-3-one Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1CC(CN)O)C2=CC=CC=C2)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=O)N(N1CC(CN)O)C2=CC=CC=C2)C(=O)C3=CC=CS3

InChI

InChI=1S/C18H19N3O3S/c1-12-16(17(23)15-8-5-9-25-15)18(24)21(13-6-3-2-4-7-13)20(12)11-14(22)10-19/h2-9,14,22H,10-11,19H2,1H3