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

Systemtic Name: 1-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[1-[(2-chlorophenyl)methyl]-4-pyrazolyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[1-(2-chlorobenzyl)pyrazol-4-yl]-3-(4-nitrophenyl)thiourea Formula: C17H14ClN5O2S MolecularWeight: 387.84336

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=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN5O2S/c18-16-4-2-1-3-12(16)10-22-11-14(9-19-22)21-17(26)20-13-5-7-15(8-6-13)23(24)25/h1-9,11H,10H2,(H2,20,21,26)