3-(3-bromophenyl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]thiourea

Systemtic Name: 3-(3-bromophenyl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]thiourea Openeye Name: 3-(3-bromophenyl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]thiourea CAS Name: 3-(3-bromophenyl)-1-methyl-1-[(1-phenyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 3-(3-bromophenyl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]thiourea Traditional Name: 3-(3-bromophenyl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]thiourea Formula: C18H17BrN4S MolecularWeight: 401.32338

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=S)NC3=CC(=CC=C3)Br

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=S)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H17BrN4S/c1-22(18(24)21-16-7-5-6-15(19)10-16)12-14-11-20-23(13-14)17-8-3-2-4-9-17/h2-11,13H,12H2,1H3,(H,21,24)