1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(Z)-quinoxalin-2-ylmethylideneamino]thiourea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(Z)-quinoxalin-2-ylmethylideneamino]thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[(Z)-quinoxalin-2-ylmethyleneamino]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(Z)-2-quinoxalinylmethylideneamino]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(Z)-quinoxalin-2-ylmethylideneamino]thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[(Z)-quinoxalin-2-ylmethyleneamino]thiourea Formula: C21H19N7OS MolecularWeight: 417.48686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NN=CC3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N/N=C\C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C21H19N7OS/c1-14-19(20(29)28(27(14)2)16-8-4-3-5-9-16)25-21(30)26-23-13-15-12-22-17-10-6-7-11-18(17)24-15/h3-13H,1-2H3,(H2,25,26,30)/b23-13-