1-[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[3-[(4-chloro-1-pyrazolyl)methyl]phenyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-3-(4-nitrophenyl)thiourea Formula: C17H14ClN5O2S MolecularWeight: 387.84336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])CN3C=C(C=N3)Cl

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])CN3C=C(C=N3)Cl

InChI

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