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

Systemtic Name: 1-[4-bromanyl-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(3-nitrophenyl)thiourea Openeye Name: 1-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(3-nitrophenyl)thiourea CAS Name: 1-[4-bromo-1-[(3,4-dichlorophenyl)methyl]-3-pyrazolyl]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(3-nitrophenyl)thiourea Traditional Name: 1-[4-bromo-1-(3,4-dichlorobenzyl)pyrazol-3-yl]-3-(3-nitrophenyl)thiourea Formula: C17H12BrCl2N5O2S MolecularWeight: 501.18448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NC2=NN(C=C2Br)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NC2=NN(C=C2Br)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H12BrCl2N5O2S/c18-13-9-24(8-10-4-5-14(19)15(20)6-10)23-16(13)22-17(28)21-11-2-1-3-12(7-11)25(26)27/h1-7,9H,8H2,(H2,21,22,23,28)