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

Systemtic Name: 1-[(E)-[3-methyl-1-(4-nitrophenyl)pyrazol-4-yl]methylideneamino]thiourea Openeye Name: [(E)-[3-methyl-1-(4-nitrophenyl)pyrazol-4-yl]methyleneamino]thiourea CAS Name: [(E)-[3-methyl-1-(4-nitrophenyl)-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: [(E)-[3-methyl-1-(4-nitrophenyl)pyrazol-4-yl]methylideneamino]thiourea Traditional Name: [(E)-[3-methyl-1-(4-nitrophenyl)pyrazol-4-yl]methyleneamino]thiourea Formula: C12H12N6O2S MolecularWeight: 304.32768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N6O2S/c1-8-9(6-14-15-12(13)21)7-17(16-8)10-2-4-11(5-3-10)18(19)20/h2-7H,1H3,(H3,13,15,21)/b14-6+