1-[(4-oxidanyl-1-phenyl-pyrazol-3-yl)carbonylamino]-3-(3-phenylsulfanylpropyl)urea

Systemtic Name: 1-[(4-oxidanyl-1-phenyl-pyrazol-3-yl)carbonylamino]-3-(3-phenylsulfanylpropyl)urea Openeye Name: 1-[(4-hydroxy-1-phenyl-pyrazole-3-carbonyl)amino]-3-(3-phenylsulfanylpropyl)urea CAS Name: 1-[[(4-hydroxy-1-phenyl-3-pyrazolyl)-oxomethyl]amino]-3-[3-(phenylthio)propyl]urea IUPAC Name: 1-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]-3-(3-phenylsulfanylpropyl)urea Traditional Name: 1-[(4-hydroxy-1-phenyl-pyrazole-3-carbonyl)amino]-3-[3-(phenylthio)propyl]urea Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C(=O)NNC(=O)NCCCSC3=CC=CC=C3)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C(=O)NNC(=O)NCCCSC3=CC=CC=C3)O

InChI

InChI=1S/C20H21N5O3S/c26-17-14-25(15-8-3-1-4-9-15)24-18(17)19(27)22-23-20(28)21-12-7-13-29-16-10-5-2-6-11-16/h1-6,8-11,14,26H,7,12-13H2,(H,22,27)(H2,21,23,28)