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

Systemtic Name: 1-methyl-3-[(E)-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]thiourea Openeye Name: 1-methyl-3-[(E)-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiourea CAS Name: 1-methyl-3-[(E)-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: 1-methyl-3-[(E)-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylideneamino]thiourea Traditional Name: 1-methyl-3-[(E)-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiourea Formula: C18H16N6O2S MolecularWeight: 380.42364

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NN=CC1=CN(N=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CNC(=S)N/N=C/C1=CN(N=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H16N6O2S/c1-19-18(27)21-20-11-14-12-23(15-5-3-2-4-6-15)22-17(14)13-7-9-16(10-8-13)24(25)26/h2-12H,1H3,(H2,19,21,27)/b20-11+