1-(2,3-dihydroinden-1-ylideneamino)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea

Systemtic Name: 1-(2,3-dihydroinden-1-ylideneamino)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(indan-1-ylideneamino)thiourea CAS Name: 1-(2,3-dihydroinden-1-ylideneamino)-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)thiourea IUPAC Name: 1-(2,3-dihydroinden-1-ylideneamino)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea Traditional Name: 1-(indan-1-ylideneamino)-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C21H21N5OS MolecularWeight: 391.48934

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=C3CCC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NN=C3CCC4=CC=CC=C43

InChI

InChI=1S/C21H21N5OS/c1-14-19(20(27)26(25(14)2)16-9-4-3-5-10-16)22-21(28)24-23-18-13-12-15-8-6-7-11-17(15)18/h3-11H,12-13H2,1-2H3,(H2,22,24,28)