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

Systemtic Name: 1-(2-bromophenyl)-3-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]thiourea Openeye Name: 1-(2-bromophenyl)-3-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]thiourea CAS Name: 1-(2-bromophenyl)-3-[1-[(3-cyanophenyl)methyl]-4-pyrazolyl]thiourea IUPAC Name: 1-(2-bromophenyl)-3-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-(2-bromophenyl)-3-[1-(3-cyanobenzyl)pyrazol-4-yl]thiourea Formula: C18H14BrN5S MolecularWeight: 412.30626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrN5S/c19-16-6-1-2-7-17(16)23-18(25)22-15-10-21-24(12-15)11-14-5-3-4-13(8-14)9-20/h1-8,10,12H,11H2,(H2,22,23,25)