1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]thiourea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]thiourea Formula: C21H20N6O3S MolecularWeight: 436.4869

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NN=CC=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H20N6O3S/c1-15-19(20(28)26(25(15)2)17-8-4-3-5-9-17)23-21(31)24-22-14-6-7-16-10-12-18(13-11-16)27(29)30/h3-14H,1-2H3,(H2,23,24,31)/b7-6+,22-14?