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

Systemtic Name: 1-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-naphthalen-1-yl-thiourea Openeye Name: 1-[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]-3-(1-naphthyl)thiourea CAS Name: 1-[3,5-dimethyl-1-(1-naphthalenylmethyl)-4-pyrazolyl]-3-(1-naphthalenyl)thiourea IUPAC Name: 1-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-naphthalen-1-ylthiourea Traditional Name: 1-[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]-3-(1-naphthyl)thiourea Formula: C27H24N4S MolecularWeight: 436.57126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC3=CC=CC=C32)C)NC(=S)NC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC3=CC=CC=C32)C)NC(=S)NC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H24N4S/c1-18-26(29-27(32)28-25-16-8-12-21-10-4-6-15-24(21)25)19(2)31(30-18)17-22-13-7-11-20-9-3-5-14-23(20)22/h3-16H,17H2,1-2H3,(H2,28,29,32)