1-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-3-(3,5-dimethylphenyl)thiourea

Systemtic Name: 1-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-3-(3,5-dimethylphenyl)thiourea Openeye Name: 1-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-3-(3,5-dimethylphenyl)thiourea CAS Name: 1-[3-[(4-bromo-1-pyrazolyl)methyl]phenyl]-3-(3,5-dimethylphenyl)thiourea IUPAC Name: 1-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-3-(3,5-dimethylphenyl)thiourea Traditional Name: 1-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-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=CC=CC(=C2)CN3C=C(C=N3)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NC2=CC=CC(=C2)CN3C=C(C=N3)Br)C

InChI

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