1-[(E)-(4-bromophenyl)methylideneamino]-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea

Systemtic Name: 1-[(E)-(4-bromophenyl)methylideneamino]-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea Openeye Name: 1-[(E)-(4-bromophenyl)methyleneamino]-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea CAS Name: 1-[(E)-(4-bromophenyl)methylideneamino]-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)thiourea IUPAC Name: 1-[(E)-(4-bromophenyl)methylideneamino]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea Traditional Name: 1-[(E)-(4-bromobenzylidene)amino]-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C19H18BrN5OS MolecularWeight: 444.34812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NN=CC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N/N=C/C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H18BrN5OS/c1-13-17(18(26)25(24(13)2)16-6-4-3-5-7-16)22-19(27)23-21-12-14-8-10-15(20)11-9-14/h3-12H,1-2H3,(H2,22,23,27)/b21-12+