1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[4-[oxidanidyl(oxidanyl)amino]phenyl]thiourea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[4-[oxidanidyl(oxidanyl)amino]phenyl]thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[4-[hydroxy(oxido)amino]phenyl]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[4-[hydroxy(oxido)amino]phenyl]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[4-[hydroxy(oxido)amino]phenyl]thiourea Traditional Name: 1-[4-[hydroxy(oxido)amino]phenyl]-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C18H18N5O3S- MolecularWeight: 384.43222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)N(O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)N(O)[O-]

InChI

InChI=1S/C18H18N5O3S/c1-12-16(17(24)22(21(12)2)14-6-4-3-5-7-14)20-18(27)19-13-8-10-15(11-9-13)23(25)26/h3-11,25H,1-2H3,(H2,19,20,27)/q-1