1-[(4-oxidanyl-1-phenyl-pyrazol-3-yl)carbonylamino]-3-(2-phenylsulfanylethyl)thiourea

Systemtic Name: 1-[(4-oxidanyl-1-phenyl-pyrazol-3-yl)carbonylamino]-3-(2-phenylsulfanylethyl)thiourea Openeye Name: 1-[(4-hydroxy-1-phenyl-pyrazole-3-carbonyl)amino]-3-(2-phenylsulfanylethyl)thiourea CAS Name: 1-[[(4-hydroxy-1-phenyl-3-pyrazolyl)-oxomethyl]amino]-3-[2-(phenylthio)ethyl]thiourea IUPAC Name: 1-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]-3-(2-phenylsulfanylethyl)thiourea Traditional Name: 1-[(4-hydroxy-1-phenyl-pyrazole-3-carbonyl)amino]-3-[2-(phenylthio)ethyl]thiourea Formula: C19H19N5O2S2 MolecularWeight: 413.51646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C(=O)NNC(=S)NCCSC3=CC=CC=C3)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C(=O)NNC(=S)NCCSC3=CC=CC=C3)O

InChI

InChI=1S/C19H19N5O2S2/c25-16-13-24(14-7-3-1-4-8-14)23-17(16)18(26)21-22-19(27)20-11-12-28-15-9-5-2-6-10-15/h1-10,13,25H,11-12H2,(H,21,26)(H2,20,22,27)