1-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-(3-nitrophenyl)thiourea

Systemtic Name: 1-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-(3-nitrophenyl)thiourea Openeye Name: 1-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-(3-nitrophenyl)thiourea CAS Name: 1-[1-[(3,4-dichlorophenyl)methyl]-4-pyrazolyl]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-(3-nitrophenyl)thiourea Traditional Name: 1-[1-(3,4-dichlorobenzyl)pyrazol-4-yl]-3-(3-nitrophenyl)thiourea Formula: C17H13Cl2N5O2S MolecularWeight: 422.28842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CN(N=C2)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CN(N=C2)CC3=CC(=C(C=C3)Cl)Cl

InChI

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