1-[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-3-(2-methoxy-4-nitro-phenyl)thiourea

Systemtic Name: 1-[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-[3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C20H20BrN5O3S MolecularWeight: 490.3735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=CC=C2)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])OC)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])OC)C)Br

InChI

InChI=1S/C20H20BrN5O3S/c1-12-19(21)13(2)25(24-12)11-14-5-4-6-15(9-14)22-20(30)23-17-8-7-16(26(27)28)10-18(17)29-3/h4-10H,11H2,1-3H3,(H2,22,23,30)