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

Systemtic Name: 1-[(Z)-(2,4-dimethyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methylideneamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(Z)-(2,4-dimethyl-5-oxo-1-phenyl-pyrazol-3-yl)methyleneamino]thiourea CAS Name: 1-[(Z)-(2,4-dimethyl-5-oxo-1-phenyl-3-pyrazolyl)methylideneamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(Z)-(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)methylideneamino]thiourea Traditional Name: 1-benzyl-3-[(Z)-(5-keto-2,4-dimethyl-1-phenyl-3-pyrazolin-3-yl)methyleneamino]thiourea Formula: C20H21N5OS MolecularWeight: 379.47864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N(C1=O)C2=CC=CC=C2)C)C=NNC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(N(N(C1=O)C2=CC=CC=C2)C)/C=N\NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C20H21N5OS/c1-15-18(24(2)25(19(15)26)17-11-7-4-8-12-17)14-22-23-20(27)21-13-16-9-5-3-6-10-16/h3-12,14H,13H2,1-2H3,(H2,21,23,27)/b22-14-