1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(3-chloranyl-4-methyl-phenyl)thiourea

Systemtic Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(3-chloranyl-4-methyl-phenyl)thiourea Openeye Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(3-chloro-4-methyl-phenyl)thiourea CAS Name: 1-[1-[(4-bromophenyl)methyl]-3-pyrazolyl]-3-(3-chloro-4-methylphenyl)thiourea IUPAC Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(3-chloro-4-methylphenyl)thiourea Traditional Name: 1-[1-(4-bromobenzyl)pyrazol-3-yl]-3-(3-chloro-4-methyl-phenyl)thiourea Formula: C18H16BrClN4S MolecularWeight: 435.76844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=NN(C=C2)CC3=CC=C(C=C3)Br)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=NN(C=C2)CC3=CC=C(C=C3)Br)Cl

InChI

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