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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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