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

Systemtic Name: 1-[3-(4-bromanyl-3-methyl-pyrazol-1-yl)propyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-[3-(4-bromo-3-methyl-pyrazol-1-yl)propyl]-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-[3-(4-bromo-3-methyl-1-pyrazolyl)propyl]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-[3-(4-bromo-3-methyl-pyrazol-1-yl)propyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C15H18BrN5O3S MolecularWeight: 428.30412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Br)CCCNC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC1=NN(C=C1Br)CCCNC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C15H18BrN5O3S/c1-10-12(16)9-20(19-10)7-3-6-17-15(25)18-13-5-4-11(21(22)23)8-14(13)24-2/h4-5,8-9H,3,6-7H2,1-2H3,(H2,17,18,25)