1-[4-bromanyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(3-nitrophenyl)thiourea

Systemtic Name: 1-[4-bromanyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(3-nitrophenyl)thiourea Openeye Name: 1-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(3-nitrophenyl)thiourea CAS Name: 1-[4-bromo-1-[(2-fluorophenyl)methyl]-3-pyrazolyl]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(3-nitrophenyl)thiourea Traditional Name: 1-[4-bromo-1-(2-fluorobenzyl)pyrazol-3-yl]-3-(3-nitrophenyl)thiourea Formula: C17H13BrFN5O2S MolecularWeight: 450.284823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=C(C(=N2)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-])Br)F

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=C(C(=N2)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-])Br)F

InChI

InChI=1S/C17H13BrFN5O2S/c18-14-10-23(9-11-4-1-2-7-15(11)19)22-16(14)21-17(27)20-12-5-3-6-13(8-12)24(25)26/h1-8,10H,9H2,(H2,20,21,22,27)