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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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