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

Systemtic Name: 1-[4-chloranyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(3-nitrophenyl)thiourea Openeye Name: 1-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(3-nitrophenyl)thiourea CAS Name: 1-[4-chloro-1-[(2-chlorophenyl)methyl]-3-pyrazolyl]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(3-nitrophenyl)thiourea Traditional Name: 1-[4-chloro-1-(2-chlorobenzyl)pyrazol-3-yl]-3-(3-nitrophenyl)thiourea Formula: C17H13Cl2N5O2S MolecularWeight: 422.28842

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-])Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H13Cl2N5O2S/c18-14-7-2-1-4-11(14)9-23-10-15(19)16(22-23)21-17(27)20-12-5-3-6-13(8-12)24(25)26/h1-8,10H,9H2,(H2,20,21,22,27)