1-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(3-nitrophenyl)thiourea

Systemtic Name: 1-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(3-nitrophenyl)thiourea Openeye Name: 1-[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]-3-(3-nitrophenyl)thiourea CAS Name: 1-[3,5-dimethyl-1-(1-naphthalenylmethyl)-4-pyrazolyl]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(3-nitrophenyl)thiourea Traditional Name: 1-[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]-3-(3-nitrophenyl)thiourea Formula: C23H21N5O2S MolecularWeight: 431.51014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC3=CC=CC=C32)C)NC(=S)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC3=CC=CC=C32)C)NC(=S)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O2S/c1-15-22(25-23(31)24-19-10-6-11-20(13-19)28(29)30)16(2)27(26-15)14-18-9-5-8-17-7-3-4-12-21(17)18/h3-13H,14H2,1-2H3,(H2,24,25,31)