3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-(2-hydroxyethyl)-1-methyl-thiourea; 3-sulfanylpropanamide

Systemtic Name: 3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-(2-hydroxyethyl)-1-methyl-thiourea; 3-sulfanylpropanamide Openeye Name: 3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1-(2-hydroxyethyl)-1-methyl-thiourea; 3-sulfanylpropanamide CAS Name: 3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-(2-hydroxyethyl)-1-methylthiourea; 3-mercaptopropanamide IUPAC Name: 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(2-hydroxyethyl)-1-methylthiourea; 3-sulfanylpropanamide Traditional Name: 1-(2-hydroxyethyl)-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-1-methyl-thiourea; 3-mercaptopropionamide Formula: C18H27N5O3S2 MolecularWeight: 425.56868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N(C)CCO.C(CS)C(=O)N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N(C)CCO.C(CS)C(=O)N

InChI

InChI=1S/C15H20N4O2S.C3H7NOS/c1-11-13(16-15(22)17(2)9-10-20)14(21)19(18(11)3)12-7-5-4-6-8-12;4-3(5)1-2-6/h4-8,20H,9-10H2,1-3H3,(H,16,22);6H,1-2H2,(H2,4,5)