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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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