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

Systemtic Name: 1-[(E)-[3-(4-bromophenyl)-1-(4-nitrophenyl)pyrazol-4-yl]methylideneamino]thiourea Openeye Name: [(E)-[3-(4-bromophenyl)-1-(4-nitrophenyl)pyrazol-4-yl]methyleneamino]thiourea CAS Name: [(E)-[3-(4-bromophenyl)-1-(4-nitrophenyl)-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: [(E)-[3-(4-bromophenyl)-1-(4-nitrophenyl)pyrazol-4-yl]methylideneamino]thiourea Traditional Name: [(E)-[3-(4-bromophenyl)-1-(4-nitrophenyl)pyrazol-4-yl]methyleneamino]thiourea Formula: C17H13BrN6O2S MolecularWeight: 445.29312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C=C2C=NNC(=S)N)C3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C=C2/C=N/NC(=S)N)C3=CC=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C17H13BrN6O2S/c18-13-3-1-11(2-4-13)16-12(9-20-21-17(19)27)10-23(22-16)14-5-7-15(8-6-14)24(25)26/h1-10H,(H3,19,21,27)/b20-9+