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

Systemtic Name: 1-[1-[(3-chloranylphenoxy)methyl]pyrazol-4-yl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[1-[(3-chlorophenoxy)methyl]-4-pyrazolyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-(4-nitrophenyl)thiourea Formula: C17H14ClN5O3S MolecularWeight: 403.84276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)OCN2C=C(C=N2)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Cl)OCN2C=C(C=N2)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClN5O3S/c18-12-2-1-3-16(8-12)26-11-22-10-14(9-19-22)21-17(27)20-13-4-6-15(7-5-13)23(24)25/h1-10H,11H2,(H2,20,21,27)