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

Systemtic Name: 1-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea Openeye Name: 1-[(Z)-1-(benzofuran-2-yl)ethylideneamino]-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea CAS Name: 1-[(Z)-1-(2-benzofuranyl)ethylideneamino]-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)thiourea IUPAC Name: 1-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea Traditional Name: 1-[(Z)-1-(benzofuran-2-yl)ethylideneamino]-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)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=C(C)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N/N=C(/C)\C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H21N5O2S/c1-14(19-13-16-9-7-8-12-18(16)29-19)24-25-22(30)23-20-15(2)26(3)27(21(20)28)17-10-5-4-6-11-17/h4-13H,1-3H3,(H2,23,25,30)/b24-14-