1-[4-bromanyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-(5-chloranyl-2-methyl-phenyl)thiourea

Systemtic Name: 1-[4-bromanyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-(5-chloranyl-2-methyl-phenyl)thiourea Openeye Name: 1-[4-bromo-1-(p-tolylmethyl)pyrazol-3-yl]-3-(5-chloro-2-methyl-phenyl)thiourea CAS Name: 1-[4-bromo-1-[(4-methylphenyl)methyl]-3-pyrazolyl]-3-(5-chloro-2-methylphenyl)thiourea IUPAC Name: 1-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-(5-chloro-2-methylphenyl)thiourea Traditional Name: 1-[4-bromo-1-(4-methylbenzyl)pyrazol-3-yl]-3-(5-chloro-2-methyl-phenyl)thiourea Formula: C19H18BrClN4S MolecularWeight: 449.79502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C(=N2)NC(=S)NC3=C(C=CC(=C3)Cl)C)Br

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C(=N2)NC(=S)NC3=C(C=CC(=C3)Cl)C)Br

InChI

InChI=1S/C19H18BrClN4S/c1-12-3-6-14(7-4-12)10-25-11-16(20)18(24-25)23-19(26)22-17-9-15(21)8-5-13(17)2/h3-9,11H,10H2,1-2H3,(H2,22,23,24,26)