1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(2-methoxy-5-methyl-phenyl)thiourea

Systemtic Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(2-methoxy-5-methyl-phenyl)thiourea Openeye Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(2-methoxy-5-methyl-phenyl)thiourea CAS Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-3-(2-methoxy-5-methylphenyl)thiourea IUPAC Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)thiourea Traditional Name: 1-[1-(4-bromobenzyl)-3,5-dimethyl-pyrazol-4-yl]-3-(2-methoxy-5-methyl-phenyl)thiourea Formula: C21H23BrN4OS MolecularWeight: 459.40252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)NC2=C(N(N=C2C)CC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)NC2=C(N(N=C2C)CC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C21H23BrN4OS/c1-13-5-10-19(27-4)18(11-13)23-21(28)24-20-14(2)25-26(15(20)3)12-16-6-8-17(22)9-7-16/h5-11H,12H2,1-4H3,(H2,23,24,28)