1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(indol-3-ylidenemethylamino)thiourea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(indol-3-ylidenemethylamino)thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(indol-3-ylidenemethylamino)thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(3-indolylidenemethylamino)thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(indol-3-ylidenemethylamino)thiourea Traditional Name: 1-(indol-3-ylidenemethylamino)-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC=C3C=NC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC=C3C=NC4=CC=CC=C43

InChI

InChI=1S/C21H20N6OS/c1-14-19(20(28)27(26(14)2)16-8-4-3-5-9-16)24-21(29)25-23-13-15-12-22-18-11-7-6-10-17(15)18/h3-13,23H,1-2H3,(H2,24,25,29)