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

Systemtic Name: 1-[3-(4-bromanyl-3-methyl-pyrazol-1-yl)propyl]-3-(3-nitrophenyl)thiourea Openeye Name: 1-[3-(4-bromo-3-methyl-pyrazol-1-yl)propyl]-3-(3-nitrophenyl)thiourea CAS Name: 1-[3-(4-bromo-3-methyl-1-pyrazolyl)propyl]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(3-nitrophenyl)thiourea Traditional Name: 1-[3-(4-bromo-3-methyl-pyrazol-1-yl)propyl]-3-(3-nitrophenyl)thiourea Formula: C14H16BrN5O2S MolecularWeight: 398.27814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrN5O2S/c1-10-13(15)9-19(18-10)7-3-6-16-14(23)17-11-4-2-5-12(8-11)20(21)22/h2,4-5,8-9H,3,6-7H2,1H3,(H2,16,17,23)