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

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[(Z)-(2-prop-2-ynoxyphenyl)methyleneamino]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[(Z)-(2-propargyloxybenzylidene)amino]thiourea Formula: C22H21N5O2S MolecularWeight: 419.49944

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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=CC=C3OCC#C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N/N=C\C3=CC=CC=C3OCC#C

InChI

InChI=1S/C22H21N5O2S/c1-4-14-29-19-13-9-8-10-17(19)15-23-25-22(30)24-20-16(2)26(3)27(21(20)28)18-11-6-5-7-12-18/h1,5-13,15H,14H2,2-3H3,(H2,24,25,30)/b23-15-