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

Systemtic Name: 1-[(E)-(4-dimethylaminophenyl)methylideneamino]-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea Openeye Name: 1-[(E)-(4-dimethylaminophenyl)methyleneamino]-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea CAS Name: 1-[(E)-(4-dimethylaminophenyl)methylideneamino]-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)thiourea IUPAC Name: 1-[(E)-(4-dimethylaminophenyl)methylideneamino]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea Traditional Name: 1-[(E)-[4-(dimethylamino)benzylidene]amino]-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C21H24N6OS MolecularWeight: 408.51986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6OS/c1-15-19(20(28)27(26(15)4)18-8-6-5-7-9-18)23-21(29)24-22-14-16-10-12-17(13-11-16)25(2)3/h5-14H,1-4H3,(H2,23,24,29)/b22-14+