1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-3-(4-methylphenyl)thiourea

Systemtic Name: 1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-3-(4-methylphenyl)thiourea Openeye Name: 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-3-(p-tolyl)thiourea CAS Name: 1-[[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]amino]-3-(4-methylphenyl)thiourea IUPAC Name: 1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-3-(4-methylphenyl)thiourea Traditional Name: 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-3-(p-tolyl)thiourea Formula: C16H20BrN5OS MolecularWeight: 410.3319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NNC(=O)CCN2C(=C(C(=N2)C)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NNC(=O)CCN2C(=C(C(=N2)C)Br)C

InChI

InChI=1S/C16H20BrN5OS/c1-10-4-6-13(7-5-10)18-16(24)20-19-14(23)8-9-22-12(3)15(17)11(2)21-22/h4-7H,8-9H2,1-3H3,(H,19,23)(H2,18,20,24)