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

Systemtic Name: 1-[(E)-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]thiourea Openeye Name: [(E)-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiourea CAS Name: [(E)-[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: [(E)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylideneamino]thiourea Traditional Name: [(E)-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiourea Formula: C17H14BrN5S MolecularWeight: 400.29556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)C=NNC(=S)N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)/C=N/NC(=S)N

InChI

InChI=1S/C17H14BrN5S/c18-14-8-6-12(7-9-14)16-13(10-20-21-17(19)24)11-23(22-16)15-4-2-1-3-5-15/h1-11H,(H3,19,21,24)/b20-10+