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

Systemtic Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(2-methoxy-5-methyl-phenyl)thiourea Openeye Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(2-methoxy-5-methyl-phenyl)thiourea CAS Name: 1-[1-[(4-bromophenyl)methyl]-3-pyrazolyl]-3-(2-methoxy-5-methylphenyl)thiourea IUPAC Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(2-methoxy-5-methylphenyl)thiourea Traditional Name: 1-[1-(4-bromobenzyl)pyrazol-3-yl]-3-(2-methoxy-5-methyl-phenyl)thiourea Formula: C19H19BrN4OS MolecularWeight: 431.34936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN4OS/c1-13-3-8-17(25-2)16(11-13)21-19(26)22-18-9-10-24(23-18)12-14-4-6-15(20)7-5-14/h3-11H,12H2,1-2H3,(H2,21,22,23,26)