1-(4-bromophenyl)-3-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-(4-bromophenyl)-3-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(4-bromophenyl)-3-(3-pyridylmethyl)thiourea CAS Name: 1-(4-bromophenyl)-3-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(4-bromophenyl)-3-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(4-bromophenyl)-3-(3-pyridylmethyl)thiourea Formula: C13H12BrN3S MolecularWeight: 322.22348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=S)NC2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC(=CN=C1)CNC(=S)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H12BrN3S/c14-11-3-5-12(6-4-11)17-13(18)16-9-10-2-1-7-15-8-10/h1-8H,9H2,(H2,16,17,18)