1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(3,5-dimethylphenyl)thiourea

Systemtic Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(3,5-dimethylphenyl)thiourea Openeye Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(3,5-dimethylphenyl)thiourea CAS Name: 1-[1-[(4-bromophenyl)methyl]-3-pyrazolyl]-3-(3,5-dimethylphenyl)thiourea IUPAC Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(3,5-dimethylphenyl)thiourea Traditional Name: 1-[1-(4-bromobenzyl)pyrazol-3-yl]-3-(3,5-dimethylphenyl)thiourea Formula: C19H19BrN4S MolecularWeight: 415.34996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN4S/c1-13-9-14(2)11-17(10-13)21-19(25)22-18-7-8-24(23-18)12-15-3-5-16(20)6-4-15/h3-11H,12H2,1-2H3,(H2,21,22,23,25)