1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(2,3-dimethylphenyl)thiourea

Systemtic Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(2,3-dimethylphenyl)thiourea Openeye Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(2,3-dimethylphenyl)thiourea CAS Name: 1-[1-[(4-bromophenyl)methyl]-3-pyrazolyl]-3-(2,3-dimethylphenyl)thiourea IUPAC Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(2,3-dimethylphenyl)thiourea Traditional Name: 1-[1-(4-bromobenzyl)pyrazol-3-yl]-3-(2,3-dimethylphenyl)thiourea Formula: C19H19BrN4S MolecularWeight: 415.34996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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