1-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-3-(2-methoxy-4-nitro-phenyl)thiourea

Systemtic Name: 1-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-[3-[(4-bromo-1-pyrazolyl)methyl]phenyl]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C18H16BrN5O3S MolecularWeight: 462.32034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC=CC(=C2)CN3C=C(C=N3)Br

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC=CC(=C2)CN3C=C(C=N3)Br

InChI

InChI=1S/C18H16BrN5O3S/c1-27-17-8-15(24(25)26)5-6-16(17)22-18(28)21-14-4-2-3-12(7-14)10-23-11-13(19)9-20-23/h2-9,11H,10H2,1H3,(H2,21,22,28)