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

Systemtic Name: 1-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(3-methoxypropyl)thiourea Openeye Name: 1-[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]-3-(3-methoxypropyl)thiourea CAS Name: 1-[3,5-dimethyl-1-(1-naphthalenylmethyl)-4-pyrazolyl]-3-(3-methoxypropyl)thiourea IUPAC Name: 1-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(3-methoxypropyl)thiourea Traditional Name: 1-[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]-3-(3-methoxypropyl)thiourea Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC3=CC=CC=C32)C)NC(=S)NCCCOC

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC3=CC=CC=C32)C)NC(=S)NCCCOC

InChI

InChI=1S/C21H26N4OS/c1-15-20(23-21(27)22-12-7-13-26-3)16(2)25(24-15)14-18-10-6-9-17-8-4-5-11-19(17)18/h4-6,8-11H,7,12-14H2,1-3H3,(H2,22,23,27)