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

Systemtic Name: 1-(4-bromanyl-2-chloranyl-phenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea Openeye Name: 1-(4-bromo-2-chloro-phenyl)-3-[1-(o-tolylmethyl)pyrazol-4-yl]thiourea CAS Name: 1-(4-bromo-2-chlorophenyl)-3-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]thiourea IUPAC Name: 1-(4-bromo-2-chlorophenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-(4-bromo-2-chloro-phenyl)-3-[1-(2-methylbenzyl)pyrazol-4-yl]thiourea Formula: C18H16BrClN4S MolecularWeight: 435.76844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(C=N2)NC(=S)NC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C=N2)NC(=S)NC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C18H16BrClN4S/c1-12-4-2-3-5-13(12)10-24-11-15(9-21-24)22-18(25)23-17-7-6-14(19)8-16(17)20/h2-9,11H,10H2,1H3,(H2,22,23,25)