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

Systemtic Name: 1-(cycloheptylideneamino)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea Openeye Name: 1-(cycloheptylideneamino)-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea CAS Name: 1-(cycloheptylideneamino)-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)thiourea IUPAC Name: 1-(cycloheptylideneamino)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea Traditional Name: 1-(cycloheptylideneamino)-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C19H25N5OS MolecularWeight: 371.4997

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=C3CCCCCC3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NN=C3CCCCCC3

InChI

InChI=1S/C19H25N5OS/c1-14-17(18(25)24(23(14)2)16-12-8-5-9-13-16)20-19(26)22-21-15-10-6-3-4-7-11-15/h5,8-9,12-13H,3-4,6-7,10-11H2,1-2H3,(H2,20,22,26)