1-(3-chloranyl-4-methyl-phenyl)-3-[(4-oxidanyl-1-phenyl-pyrazol-3-yl)carbonylamino]thiourea

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[(4-oxidanyl-1-phenyl-pyrazol-3-yl)carbonylamino]thiourea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[(4-hydroxy-1-phenyl-pyrazole-3-carbonyl)amino]thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[[(4-hydroxy-1-phenyl-3-pyrazolyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]thiourea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-[(4-hydroxy-1-phenyl-pyrazole-3-carbonyl)amino]thiourea Formula: C18H16ClN5O2S MolecularWeight: 401.86994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=NN(C=C2O)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=NN(C=C2O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C18H16ClN5O2S/c1-11-7-8-12(9-14(11)19)20-18(27)22-21-17(26)16-15(25)10-24(23-16)13-5-3-2-4-6-13/h2-10,25H,1H3,(H,21,26)(H2,20,22,27)