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

Systemtic Name: 3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-methyl-1-propan-2-yl-thiourea Openeye Name: 3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1-isopropyl-1-methyl-thiourea CAS Name: 3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-methyl-1-propan-2-ylthiourea IUPAC Name: 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-propan-2-ylthiourea Traditional Name: 1-isopropyl-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-1-methyl-thiourea Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4OS/c1-11(2)18(4)16(22)17-14-12(3)19(5)20(15(14)21)13-9-7-6-8-10-13/h6-11H,1-5H3,(H,17,22)