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

Systemtic Name: 3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,1-bis(2-hydroxyethyl)thiourea Openeye Name: 3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1,1-bis(2-hydroxyethyl)thiourea CAS Name: 3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1,1-bis(2-hydroxyethyl)thiourea IUPAC Name: 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-bis(2-hydroxyethyl)thiourea Traditional Name: 1,1-bis(2-hydroxyethyl)-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O3S/c1-12-14(17-16(24)19(8-10-21)9-11-22)15(23)20(18(12)2)13-6-4-3-5-7-13/h3-7,21-22H,8-11H2,1-2H3,(H,17,24)