1-[4-bromanyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-(3-methoxypropyl)thiourea

Systemtic Name: 1-[4-bromanyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-(3-methoxypropyl)thiourea Openeye Name: 1-[4-bromo-1-(p-tolylmethyl)pyrazol-3-yl]-3-(3-methoxypropyl)thiourea CAS Name: 1-[4-bromo-1-[(4-methylphenyl)methyl]-3-pyrazolyl]-3-(3-methoxypropyl)thiourea IUPAC Name: 1-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-(3-methoxypropyl)thiourea Traditional Name: 1-[4-bromo-1-(4-methylbenzyl)pyrazol-3-yl]-3-(3-methoxypropyl)thiourea Formula: C16H21BrN4OS MolecularWeight: 397.33314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C(=N2)NC(=S)NCCCOC)Br

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C(=N2)NC(=S)NCCCOC)Br

InChI

InChI=1S/C16H21BrN4OS/c1-12-4-6-13(7-5-12)10-21-11-14(17)15(20-21)19-16(23)18-8-3-9-22-2/h4-7,11H,3,8-10H2,1-2H3,(H2,18,19,20,23)