1-[(E)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]-3-(2-nitrophenyl)thiourea

Systemtic Name: 1-[(E)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]-3-(2-nitrophenyl)thiourea Openeye Name: 1-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]-3-(2-nitrophenyl)thiourea CAS Name: 1-[(E)-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylideneamino]-3-(2-nitrophenyl)thiourea IUPAC Name: 1-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(2-nitrophenyl)thiourea Traditional Name: 1-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]-3-(2-nitrophenyl)thiourea Formula: C18H15ClN6O2S MolecularWeight: 414.8687

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC(=S)NC2=CC=CC=C2[N+](=O)[O-])Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=N/NC(=S)NC2=CC=CC=C2[N+](=O)[O-])Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H15ClN6O2S/c1-12-14(17(19)24(23-12)13-7-3-2-4-8-13)11-20-22-18(28)21-15-9-5-6-10-16(15)25(26)27/h2-11H,1H3,(H2,21,22,28)/b20-11+