1-(4-bromophenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea

Systemtic Name: 1-(4-bromophenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea Openeye Name: 1-(4-bromophenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea CAS Name: 1-(4-bromophenyl)-3-[3-(1-pyrazolylmethyl)phenyl]thiourea IUPAC Name: 1-(4-bromophenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea Traditional Name: 1-(4-bromophenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea Formula: C17H15BrN4S MolecularWeight: 387.2968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN4S/c18-14-5-7-15(8-6-14)20-17(23)21-16-4-1-3-13(11-16)12-22-10-2-9-19-22/h1-11H,12H2,(H2,20,21,23)