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

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(Z)-(4-methylsulfanylphenyl)methylideneamino]thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[(Z)-(4-methylsulfanylphenyl)methyleneamino]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(Z)-[4-(methylthio)phenyl]methylideneamino]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(Z)-(4-methylsulfanylphenyl)methylideneamino]thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[(Z)-[4-(methylthio)benzylidene]amino]thiourea Formula: C20H21N5OS2 MolecularWeight: 411.54364

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)SC

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5OS2/c1-14-18(19(26)25(24(14)2)16-7-5-4-6-8-16)22-20(27)23-21-13-15-9-11-17(28-3)12-10-15/h4-13H,1-3H3,(H2,22,23,27)/b21-13-